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P-888647912
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| Name | File |
|---|---|
| SDF | P-888647912.sdf |
| SMILES | P-888647912.smiles |
| Standard InChI | P-888647912.inchi |
| InChIKey | P-888647912.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888647912 | TargetMol | Screening Compounds - stock amount | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 456.446 |
| logP | 7.7074 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 28.16 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 137.7907 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 31 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
