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UNKNOWN STEREO
MCULE-6183261512
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7534429149
- Component type: Unknown
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1
MCULE-3389198970
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6183261512.sdf |
| SMILES | MCULE-6183261512.smiles |
| Standard InChI | MCULE-6183261512.inchi |
| InChIKey | MCULE-6183261512.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 577.791 |
| logP | 2.8182 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 154.76 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 159.936 |
| Atoms | 96 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 55 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
