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P-597041666
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- InChI:
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| Name | File |
|---|---|
| SDF | P-597041666.sdf |
| SMILES | P-597041666.smiles |
| Standard InChI | P-597041666.inchi |
| InChIKey | P-597041666.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 484.496 |
| logP | -0.0508 |
| H-bond acceptors | 12 |
| H-bond donors | 10 |
| Rotatable bonds | 9 |
| PSA | 220.04 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 121.2262 |
| Atoms | 66 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 32 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| 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 |
