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MCULE-7837562009
Compound
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| Name | File |
|---|---|
| SDF | MCULE-7837562009.sdf |
| SMILES | MCULE-7837562009.smiles |
| Standard InChI | MCULE-7837562009.inchi |
| InChIKey | MCULE-7837562009.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489142571 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.458 |
| logP | 5.0287 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 20.23 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 93.5868 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 30 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
