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MCULE-6239533637
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9457426256
- Component type: Unknown
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1
MCULE-4390437415
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6239533637.sdf |
| SMILES | MCULE-6239533637.smiles |
| Standard InChI | MCULE-6239533637.inchi |
| InChIKey | MCULE-6239533637.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 512.933 |
| logP | 11.7002 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 30 |
| PSA | 40.46 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 169.9896 |
| Atoms | 108 |
| Rings | 0 |
| Heavy atoms | 36 |
| Hydrogen atoms | 72 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
