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MCULE-7859486693
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7613134021
- Component type: Unknown
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1
MCULE-2455872562
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7859486693.sdf |
| SMILES | MCULE-7859486693.smiles |
| Standard InChI | MCULE-7859486693.inchi |
| InChIKey | MCULE-7859486693.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 283.604 |
| logP | -0.7037 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 105.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.5194 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
