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MCULE-1942789777-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-7703149050-0
- Component type: Unknown
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1
MCULE-1483279870-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1942789777-0.sdf |
| SMILES | MCULE-1942789777-0.smiles |
| Standard InChI | MCULE-1942789777-0.inchi |
| InChIKey | MCULE-1942789777-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 700.889 |
| logP | 6.1092 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 25 |
| PSA | 203.15 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 193.6875 |
| Atoms | 113 |
| Rings | 3 |
| Heavy atoms | 48 |
| Hydrogen atoms | 65 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| 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 |
