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P-590868543
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| Name | File |
|---|---|
| SDF | P-590868543.sdf |
| SMILES | P-590868543.smiles |
| Standard InChI | P-590868543.inchi |
| InChIKey | P-590868543.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 632.535 |
| logP | 9.2796 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 14 |
| PSA | 49.77 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 166.6548 |
| Atoms | 77 |
| Rings | 4 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 9 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
