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P-870661916
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| Name | File |
|---|---|
| SDF | P-870661916.sdf |
| SMILES | P-870661916.smiles |
| Standard InChI | P-870661916.inchi |
| InChIKey | P-870661916.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870661916 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 645.604 |
| logP | -8.1736 |
| H-bond acceptors | 19 |
| H-bond donors | 14 |
| Rotatable bonds | 9 |
| PSA | 321.17 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 136.6891 |
| Atoms | 87 |
| Rings | 4 |
| Heavy atoms | 44 |
| Hydrogen atoms | 43 |
| Heteroatoms | 19 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 19 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 19 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
