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MCULE-4929675838
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4369643785
- Component type: Unknown
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1
MCULE-7268888590
- Component type: Unknown
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1
MCULE-2912258707
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4929675838.sdf |
| SMILES | MCULE-4929675838.smiles |
| Standard InChI | MCULE-4929675838.inchi |
| InChIKey | MCULE-4929675838.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 563.766 |
| logP | 7.4408 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 15 |
| PSA | 87.07 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 169.7261 |
| Atoms | 90 |
| Rings | 3 |
| Heavy atoms | 41 |
| Hydrogen atoms | 49 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
