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P-891648549
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| Name | File |
|---|---|
| SDF | P-891648549.sdf |
| SMILES | P-891648549.smiles |
| Standard InChI | P-891648549.inchi |
| InChIKey | P-891648549.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 488.541 |
| logP | 3.0578 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 117.63 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 140.7334 |
| Atoms | 64 |
| Rings | 6 |
| Heavy atoms | 36 |
| Hydrogen atoms | 28 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
