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MCULE-8473278629-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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MCULE-2489128086-0
- Component type: Main
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MCULE-1802765069-0
- Component type: Main
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MCULE-7530483590-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8473278629-1.sdf |
| SMILES | MCULE-8473278629-1.smiles |
| Standard InChI | MCULE-8473278629-1.inchi |
| InChIKey | MCULE-8473278629-1.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.192 |
| logP | 0.4321 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.5025 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| 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 |
