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MCULE-7911178189
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8179830945
- Component type: Unknown
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1
MCULE-3025814103
- Component type: Unknown
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1
MCULE-1621267036
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7911178189.sdf |
| SMILES | MCULE-7911178189.smiles |
| Standard InChI | MCULE-7911178189.inchi |
| InChIKey | MCULE-7911178189.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 422.539 |
| logP | 2.7425 |
| H-bond acceptors | 9 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 110.83 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.132 |
| Atoms | 62 |
| Rings | 1 |
| Heavy atoms | 28 |
| Hydrogen atoms | 34 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
