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MCULE-2043076093
Compound
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- InChIKey:
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1
MCULE-4336965964
- Component type: Unknown
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1
MCULE-1651879421
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2043076093.sdf |
| SMILES | MCULE-2043076093.smiles |
| Standard InChI | MCULE-2043076093.inchi |
| InChIKey | MCULE-2043076093.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 671.403 |
| logP | -4.0167 |
| H-bond acceptors | 23 |
| H-bond donors | 10 |
| Rotatable bonds | 8 |
| PSA | 377.0 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 138.7635 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 27 |
| Heteroatoms | 25 |
| N/O atoms | 23 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
