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MCULE-1167972551-1
Structure
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MCULE-9623188688-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1167972551-1.sdf |
| SMILES | MCULE-1167972551-1.smiles |
| Standard InChI | MCULE-1167972551-1.inchi |
| InChIKey | MCULE-1167972551-1.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 324.436 |
| logP | 3.7821 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 30.74 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 101.1787 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 26 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
