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P-500371950
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| Name | File |
|---|---|
| SDF | P-500371950.sdf |
| SMILES | P-500371950.smiles |
| Standard InChI | P-500371950.inchi |
| InChIKey | P-500371950.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500371950 | Pi Chemicals | Virtual Compounds | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 475.573 |
| logP | 3.2188 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 138.53 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 131.4452 |
| Atoms | 71 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 37 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
