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MCULE-1327788893
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8641122508
- Component type: Main
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2
MCULE-6500988684
- Component type: Counter Ion
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4
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1327788893.sdf |
| SMILES | MCULE-1327788893.smiles |
| Standard InChI | MCULE-1327788893.inchi |
| InChIKey | MCULE-1327788893.txt |
| Property | Value |
|---|---|
| Components | 7 |
| Mass | 1087.819 |
| logP | 11.3274 |
| H-bond acceptors | 22 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 456.04 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 189.4944 |
| Atoms | 80 |
| Rings | 6 |
| Heavy atoms | 64 |
| Hydrogen atoms | 16 |
| Heteroatoms | 32 |
| N/O atoms | 22 |
| Inorganic atoms | 6 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
