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MCULE-4550112087
Compound
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MCULE-1209970961
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4550112087.sdf |
| SMILES | MCULE-4550112087.smiles |
| Standard InChI | MCULE-4550112087.inchi |
| InChIKey | MCULE-4550112087.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 370.473 |
| logP | 1.281 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 121.11 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.9814 |
| Atoms | 51 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 26 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
