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MCULE-9839244173
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2103274997
- Component type: Unknown
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1
MCULE-8349779970
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9839244173.sdf |
| SMILES | MCULE-9839244173.smiles |
| Standard InChI | MCULE-9839244173.inchi |
| InChIKey | MCULE-9839244173.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 279.374 |
| logP | 4.0233 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 62.47 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.4335 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 25 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
