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MCULE-1313038138
Compound
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- InChI:
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1
MCULE-8043728254
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1313038138.sdf |
| SMILES | MCULE-1313038138.smiles |
| Standard InChI | MCULE-1313038138.inchi |
| InChIKey | MCULE-1313038138.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 401.494 |
| logP | 1.8938 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 125.32 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.1831 |
| Atoms | 63 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 35 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
