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P-887314586
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| Name | File |
|---|---|
| SDF | P-887314586.sdf |
| SMILES | P-887314586.smiles |
| Standard InChI | P-887314586.inchi |
| InChIKey | P-887314586.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-887314586 | AsisChem | In-stock Compounds for biological screening | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1042.138 |
| logP | 1.3281 |
| H-bond acceptors | 25 |
| H-bond donors | 11 |
| Rotatable bonds | 32 |
| PSA | 365.19 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 280.4243 |
| Atoms | 145 |
| Rings | 4 |
| Heavy atoms | 74 |
| Hydrogen atoms | 71 |
| Heteroatoms | 25 |
| N/O atoms | 25 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
