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MCULE-7229105378-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-3917488360-1
- Component type: Unknown
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1
MCULE-1231900319-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7229105378-0.sdf |
| SMILES | MCULE-7229105378-0.smiles |
| Standard InChI | MCULE-7229105378-0.inchi |
| InChIKey | MCULE-7229105378-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 493.506 |
| logP | 1.4754 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 173.0 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 134.3397 |
| Atoms | 66 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 31 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
