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MCULE-2223969485
Compound
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- InChI:
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1
MCULE-6071796178
- Component type: Main
-
2
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2223969485.sdf |
| SMILES | MCULE-2223969485.smiles |
| Standard InChI | MCULE-2223969485.inchi |
| InChIKey | MCULE-2223969485.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 552.613 |
| logP | 1.9509 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 193.93 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 141.8457 |
| Atoms | 79 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 40 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
