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MCULE-2024691997
Compound
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1
MCULE-2767000476
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2024691997.sdf |
| SMILES | MCULE-2024691997.smiles |
| Standard InChI | MCULE-2024691997.inchi |
| InChIKey | MCULE-2024691997.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 502.027 |
| logP | 7.8295 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 74.47 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 142.976 |
| Atoms | 59 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
