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MCULE-2321973109-0
Structure
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- InChIKey:
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1
MCULE-3833394421-0
- Component type: Counter Ion
-
1
MCULE-8035869847-0
- Component type: Unknown
-
1
MCULE-1061300925-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2321973109-0.sdf |
| SMILES | MCULE-2321973109-0.smiles |
| Standard InChI | MCULE-2321973109-0.inchi |
| InChIKey | MCULE-2321973109-0.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 475.587 |
| logP | -7.0215 |
| H-bond acceptors | 10 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 167.0 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 60.101 |
| Atoms | 37 |
| Rings | 0 |
| Heavy atoms | 23 |
| Hydrogen atoms | 14 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
