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MCULE-3071423099
Compound
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| Name | File |
|---|---|
| SDF | MCULE-3071423099.sdf |
| SMILES | MCULE-3071423099.smiles |
| Standard InChI | MCULE-3071423099.inchi |
| InChIKey | MCULE-3071423099.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 675.774 |
| logP | 2.8575 |
| H-bond acceptors | 14 |
| H-bond donors | 7 |
| Rotatable bonds | 20 |
| PSA | 219.84 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 184.265 |
| Atoms | 94 |
| Rings | 4 |
| Heavy atoms | 49 |
| Hydrogen atoms | 45 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
