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P-502592849
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| Name | File |
|---|---|
| SDF | P-502592849.sdf |
| SMILES | P-502592849.smiles |
| Standard InChI | P-502592849.inchi |
| InChIKey | P-502592849.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502592849 | 90 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 444.763 |
| logP | 6.0756 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 109.97 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 113.6141 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
