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P-895219476
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| Name | File |
|---|---|
| SDF | P-895219476.sdf |
| SMILES | P-895219476.smiles |
| Standard InChI | P-895219476.inchi |
| InChIKey | P-895219476.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895219476 | MedChemExpress | Screening compounds on demand | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 768.195 |
| logP | 6.3278 |
| H-bond acceptors | 17 |
| H-bond donors | 3 |
| Rotatable bonds | 13 |
| PSA | 175.31 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 202.24 |
| Atoms | 95 |
| Rings | 5 |
| Heavy atoms | 53 |
| Hydrogen atoms | 42 |
| Heteroatoms | 18 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
