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MCULE-8726922810-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 5 USD | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-8812335475-0
- Component type: Main
-
1
MCULE-5142506228-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8726922810-0.sdf |
| SMILES | MCULE-8726922810-0.smiles |
| Standard InChI | MCULE-8726922810-0.inchi |
| InChIKey | MCULE-8726922810-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875725738 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-596982813 | Angene | Building Blocks in stock | 97 | As is | 275 g |
| P-867550616 | A2B Chem | Predominantly Building Block in stock | 99 | Main component as a main component | in stock |
| P-867551180 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-867565894 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-867565895 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-867589562 | A2B Chem | Predominantly Building Block in stock | N/A | Main component as a main component | in stock |
| P-867589563 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-867589564 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-867589567 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-867602792 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-860616741 | A2B Chem | Predominantly Building Block on demand | 99 | Main component as a main component | by synthesis |
| P-867531387 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-890146861 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-889939466 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-875702121 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875708387 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875709041 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875725737 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875725739 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875749173 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875749175 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875749176 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875749167 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875749168 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875760367 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875789403 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-869193903 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-869188211 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-535625960 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-869181351 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-575539280 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-892793216 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-505351308 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-590379321 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-505353617 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-575539592 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-874622425 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-869239557 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-869300533 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-590416287 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-590416288 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-590416292 | AK Scientific | Building Blocks | 97 | Main component as a main component | in stock |
| P-580198361 | Aldlab Chemicals | Building Block Stock | 95 | Main component as a main component | 75 g |
| P-851770503 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-872944994 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-606947579 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-606870478 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-606837493 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851932375 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-606896766 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851940673 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851941473 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851945198 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-606947174 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-606870020 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489235468 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489156648 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489178425 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489173380 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489161161 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489138706 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489130897 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-865911106 | Angene | Building Blocks in stock | 98 | Main component as a main component | 200 g |
| P-596959730 | Angene | Building Blocks in stock | 95 | Main component as a main component | 1.5 kg |
| P-596955759 | Angene | Building Blocks in stock | 99 | Main component as a main component | 4 kg |
| P-596955760 | Angene | Building Blocks in stock | 98 | Main component as a main component | 10 kg |
| P-596955762 | Angene | Building Blocks in stock | 98 | Main component as a main component | 2.5 kg |
| P-596955764 | Angene | Building Blocks in stock | 97 | Main component as a main component | 250 g |
| P-596987504 | Angene | Building Blocks in stock | 97 | Main component as a main component | 10 g |
| P-596986501 | Angene | Building Blocks in stock | 97 | Main component as a main component | 4 g |
| P-596941538 | Angene | Building Blocks in stock | 98 | Main component as a main component | 500 g |
| P-865907484 | Angene | Building Blocks in stock | 97 | Main component as a main component | 125 g |
| P-596984610 | Angene | Building Blocks in stock | 98 | Main component as a main component | 1000 g |
| P-597009189 | Angene | Building Blocks in stock | 95 | Main component as a main component | 25 g |
| P-865924948 | Angene | Building Blocks in stock | 99 | Main component as a main component | 400 g |
| P-865918929 | Angene | Building Blocks in stock | 98 | Main component as a main component | 2.5 kg |
| P-872726280 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-895935577 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-895922889 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-895948543 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-494309079 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-585322614 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-605399502 | Apollo Scientific | In Stock | 95 | Main component as a main component | 25 g |
| P-864161183 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864182449 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864184837 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864198513 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864198704 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864203340 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864232698 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-864151938 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864206267 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864184865 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864188289 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864200702 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-591085930 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-584628296 | BLD pharm | In-stock building blocks | 99 | Main component as a main component | 730 g |
| P-674401382 | BLD pharm | In-stock building blocks | 95 | Main component as a main component | 1.325 kg |
| P-619603106 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 35 g |
| P-619603367 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 155 g |
| P-584627780 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 800 g |
| P-580700912 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 3.325 kg |
| P-615697243 | BLD pharm | In-stock building blocks | 95 | Main component as a main component | 1000 mg |
| P-580701020 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 3.4 kg |
| P-580701023 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 445 g |
| P-900268865 | BOC Sciences | All products | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-871220718 | BOC Sciences | All products | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-893238654 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893238213 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893261232 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
| P-887328854 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-868563986 | Combi-Blocks | Building Block in stock | 96 | Main component as a main component | in stock |
| P-868592650 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868596198 | Combi-Blocks | Building Block in stock | 96 | Main component as a main component | in stock |
| P-868605847 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868608160 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868612442 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868612994 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-868614786 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868616462 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-868616623 | Combi-Blocks | Building Block in stock | 97 | Main component as a main component | in stock |
| P-868618230 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-868618718 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-580292927 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580292940 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580292943 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580292950 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580292954 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889113228 | FluoroChem | In Stock BB | 95 | Main component as a main component | 3.53 kg |
| P-889116351 | FluoroChem | In Stock BB | 95 | Main component as a main component | 197 g |
| P-889114586 | FluoroChem | In Stock BB | 95 | Main component as a main component | 5 g |
| P-861925124 | FluoroChem | General BB | 99 | Main component as a main component | in stock |
| P-862028205 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-862033048 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-889287339 | FluoroChem | General BB | 97 | Main component as a main component | in stock |
| P-862138628 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-862142132 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-862149054 | FluoroChem | General BB | 95 | Main component as a main component | in stock |
| P-870662800 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-500418194 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870656072 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-526190527 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-526220749 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-596574281 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| P-596569320 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-596576581 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-563571374 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| P-855932602 | Key Organics | Building Blocks | 95 | Main component as a main component | 10 g |
| P-524162753 | Key Organics | Building Blocks | 98 | Main component as a main component | 500 g |
| P-855913222 | Key Organics | Building Blocks | 97 | Main component as a main component | 100 g |
| P-596564854 | Key Organics | Building Blocks | 97 | Main component as a main component | 100 g |
| P-855920538 | Key Organics | Building Blocks | 97 | Main component as a main component | 100 g |
| P-563529651 | Key Organics | Building Blocks | 95 | Main component as a main component | 5 g |
| P-588709852 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-856009824 | Key Organics | Biochemicals | 95 | Main component as a main component | 100 mg |
| P-901145836 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-579623808 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
| P-579660820 | LabSeeker, Inc | On demand Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-31198413 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-856039903 | LaboTest | Building Blocks | 90 | Main component as a main component | unavailable |
| P-31275450 | LaboTest | Screening Collection | 90 | Main component as a main component | 10 g |
| P-856039901 | LaboTest | Building Blocks | 90 | Main component as a main component | 10 g |
| P-856039902 | LaboTest | Building Blocks | 90 | Main component as a main component | 10 g |
| P-31274797 | LaboTest | Screening Collection | 90 | Main component as a main component | 10 g |
| P-613276147 | Life Chemicals | Building Blocks - virtual | 95 | Main component as a main component | by synthesis |
| P-611662666 | Manchester Organics | Stock compounds | 97 | Main component as a main component | 2 kg |
| P-852465906 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-852467111 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-852467333 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-852468148 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-855400586 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-854756094 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-854755916 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-854719771 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-854804518 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-854914285 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-895862921 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-888172051 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
| P-888172649 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
| P-622582406 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
| P-650820279 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
| P-26464456 | Otava | In-House Stock Library | 90 | Main component as a main component | 1000 mg |
| P-26464670 | Otava | In-House Stock Library | 90 | Main component as a main component | 1000 mg |
| P-620227098 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component as a main component | 1000 mg |
| P-620227107 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component as a main component | 1000 mg |
| P-888888811 | PharmaBlock | In stock | N/A | Main component as a main component | in stock |
| P-500402864 | Pi Chemicals | Virtual Compounds | 99 | Main component as a main component | by synthesis |
| P-500412304 | Pi Chemicals | Virtual Compounds | 98 | Main component as a main component | by synthesis |
| P-885540745 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-885559507 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-885552226 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-889868930 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-889868931 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-889868932 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-617403630 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| P-869162930 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-869163487 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892299677 | TargetMol | In Stock BB | 95 | Main component as a main component | 1000 mg |
| P-892298780 | TargetMol | In Stock BB | 95 | Main component as a main component | 1.001 g |
| P-888658387 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 1.001 g |
| P-888658839 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 1000 mg |
| P-502373558 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-502368448 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-502366487 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-611422676 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422677 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422680 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422687 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422686 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422691 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611422690 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855346287 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855218517 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855315138 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-893965039 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-893945597 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-886918466 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-575292972 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-575292908 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-575306496 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-580085786 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-615393933 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-615402371 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-666974615 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-854648626 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-615449371 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-667016936 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-667023921 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 192.256 |
| logP | 2.1669 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 68.88 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.4734 |
| Atoms | 33 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
