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P-855351629
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| Name | File |
|---|---|
| SDF | P-855351629.sdf |
| SMILES | P-855351629.smiles |
| Standard InChI | P-855351629.inchi |
| InChIKey | P-855351629.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855351629 | 90 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 642.764 |
| logP | 6.1505 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 16 |
| PSA | 130.87 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 174.8647 |
| Atoms | 87 |
| Rings | 4 |
| Heavy atoms | 45 |
| Hydrogen atoms | 42 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
