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MCULE-1659101805
Compound
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| Name | File |
|---|---|
| SDF | MCULE-1659101805.sdf |
| SMILES | MCULE-1659101805.smiles |
| Standard InChI | MCULE-1659101805.inchi |
| InChIKey | MCULE-1659101805.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 489.486 |
| logP | 3.4042 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 210.05 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 123.1317 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 15 |
| Heteroatoms | 14 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
