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MCULE-5892595502-0
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 | 19 USD | 95 | 27 working days | Get Quote |
| 5 mg | 19 USD | 95 | 27 working days | Get Quote |
| 10 mg | 19 USD | 95 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5892595502-0.sdf |
| SMILES | MCULE-5892595502-0.smiles |
| Standard InChI | MCULE-5892595502-0.inchi |
| InChIKey | MCULE-5892595502-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869338347 | 95 | As is | in stock |
| P-1264050458 | 95 | As is | in stock |
| P-893466067 | 90 | As is | 220.093 g |
| P-489185204 | 97 | As is | in stock |
| P-580194047 | 98 | As is | in stock |
| P-868545578 | 99 | As is | in stock |
| P-860798937 | 98 | As is | in stock |
| P-896544998 | 98 | As is | in stock |
| P-579628148 | 98 | As is | 100 g |
| P-896627948 | 95 | As is | by synthesis |
| P-854718890 | 95 | As is | in stock |
| P-474027475 | 95 | As is | in stock |
| P-888170955 | 98 | As is | by synthesis |
| P-597054079 | 95 | As is | in stock |
| P-617401894 | N/A | As is | in stock |
| P-906756233 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.243 |
| logP | 1.80038 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 91.14 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.5597 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
