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MCULE-1612168782
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-9123430509
- Component type: Unknown
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1
MCULE-9803420258
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1612168782.sdf |
| SMILES | MCULE-1612168782.smiles |
| Standard InChI | MCULE-1612168782.inchi |
| InChIKey | MCULE-1612168782.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 391.446 |
| logP | 1.7148 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 161.3 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 93.369 |
| Atoms | 51 |
| Rings | 1 |
| Heavy atoms | 26 |
| Hydrogen atoms | 25 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
