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MCULE-2351863378-1
Structure
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- InChIKey:
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- InChI:
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1
MCULE-3597257565-1
- Component type: Main
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3
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2351863378-1.sdf |
| SMILES | MCULE-2351863378-1.smiles |
| Standard InChI | MCULE-2351863378-1.inchi |
| InChIKey | MCULE-2351863378-1.txt |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 406.061 |
| logP | -1.8286 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 239.39 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 54.1887 |
| Atoms | 34 |
| Rings | 0 |
| Heavy atoms | 23 |
| Hydrogen atoms | 11 |
| Heteroatoms | 17 |
| N/O atoms | 12 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
