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MCULE-8001995821
Compound
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- InChIKey:
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- InChI:
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1
MCULE-9843298388
- Component type: Unknown
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1
MCULE-9679700845
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8001995821.sdf |
| SMILES | MCULE-8001995821.smiles |
| Standard InChI | MCULE-8001995821.inchi |
| InChIKey | MCULE-8001995821.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 713.078 |
| logP | 9.8406 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 38 |
| PSA | 133.52 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 212.3912 |
| Atoms | 130 |
| Rings | 0 |
| Heavy atoms | 50 |
| Hydrogen atoms | 80 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
