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MCULE-3533869750
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1901095350
- Component type: Unknown
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1
MCULE-9062988700
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3533869750.sdf |
| SMILES | MCULE-3533869750.smiles |
| Standard InChI | MCULE-3533869750.inchi |
| InChIKey | MCULE-3533869750.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 421.359 |
| logP | 6.5635 |
| H-bond acceptors | 10 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 154.53 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 119.1565 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 15 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
