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UNKNOWN STEREO
MCULE-8695151016
Compound
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- InChI:
- Formula:
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1
MCULE-1283084425
- Component type: Unknown
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1
MCULE-4260589665
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8695151016.sdf |
| SMILES | MCULE-8695151016.smiles |
| Standard InChI | MCULE-8695151016.inchi |
| InChIKey | MCULE-8695151016.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 542.571 |
| logP | -1.1042 |
| H-bond acceptors | 12 |
| H-bond donors | 9 |
| Rotatable bonds | 10 |
| PSA | 209.76 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 135.0196 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 38 |
| Hydrogen atoms | 38 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
