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MCULE-5495522597
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-7476671584
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5495522597.sdf |
| SMILES | MCULE-5495522597.smiles |
| Standard InChI | MCULE-5495522597.inchi |
| InChIKey | MCULE-5495522597.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.353 |
| logP | 2.5175 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 24.5 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.4397 |
| Atoms | 41 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 24 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
