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MCULE-6297691983
Compound
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1
MCULE-4790146915
- Component type: Unknown
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1
MCULE-1823540360
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6297691983.sdf |
| SMILES | MCULE-6297691983.smiles |
| Standard InChI | MCULE-6297691983.inchi |
| InChIKey | MCULE-6297691983.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 561.887 |
| logP | 6.3255 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 103.32 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 135.6165 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 19 |
| Heteroatoms | 12 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
