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P-500380787
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| Name | File |
|---|---|
| SDF | P-500380787.sdf |
| SMILES | P-500380787.smiles |
| Standard InChI | P-500380787.inchi |
| InChIKey | P-500380787.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500380787 | Pi Chemicals | Virtual Compounds | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 515.861 |
| logP | 3.0264 |
| H-bond acceptors | 11 |
| H-bond donors | 7 |
| Rotatable bonds | 8 |
| PSA | 203.3 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 125.9365 |
| Atoms | 64 |
| Rings | 2 |
| Heavy atoms | 32 |
| Hydrogen atoms | 32 |
| Heteroatoms | 14 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
