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MCULE-1000777876
Compound
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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 | 36 USD | 99 | 12 working days | Get Quote |
| 5 mg | 36 USD | 99 | 12 working days | Get Quote |
| 10 mg | 36 USD | 99 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1000777876.sdf |
| SMILES | MCULE-1000777876.smiles |
| Standard InChI | MCULE-1000777876.inchi |
| InChIKey | MCULE-1000777876.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901866144 | 95 | As is | by synthesis |
| P-1274997092 | 95 | As is | by synthesis |
| P-867453362 | 90 | As an isomer | by synthesis |
| P-1265074509 | 90 | As an isomer | by synthesis |
| P-1264048238 | 99 | As an isomer | in stock |
| P-489156490 | 97 | As an isomer | in stock |
| P-1273455235 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-19873093 | 90 | As an isomer | in stock |
| P-34544876 | 90 | As an isomer | by synthesis |
| P-500417102 | 99 | As an isomer | in stock |
| P-608220012 | 99 | As an isomer | in stock |
| P-492243317 | 95 | As an isomer | in stock |
| P-856010183 | 90 | As an isomer | 100 mg |
| P-31248417 | 90 | As an isomer | 10 g |
| P-856041002 | 90 | As an isomer | 10 g |
| P-895330612 | 95 | As an isomer | by synthesis |
| P-621858112 | 90 | As an isomer | by synthesis |
| P-885523163 | 95 | As an isomer | by synthesis |
| P-424801593 | 90 | As an isomer | in stock |
| P-899773106 | N/A | As an isomer | 99.467 g |
| P-33162302 | 90 | As an isomer | 70 mg |
| P-906904193 | 99 | As an isomer | in stock |
| P-3224533 | 90 | As an isomer | 18.71 g |
| P-423129 | 90 | As an isomer | 18.71 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.124 |
| logP | -1.4074 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 107.22 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 35.1202 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
