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MCULE-4156002654
Compound
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- InChI:
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1
MCULE-5487408415
- Component type: Main
-
2
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4156002654.sdf |
| SMILES | MCULE-4156002654.smiles |
| Standard InChI | MCULE-4156002654.inchi |
| InChIKey | MCULE-4156002654.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 545.580 |
| logP | 1.9564 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 184.78 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 149.1769 |
| Atoms | 74 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 35 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
