| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4068452 |
| InChI Key | LGVJWBLKNKRNMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C27H17Cl1N2O3 |
| Molecular Weight | 452.09 |
| AlogP | 6.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 78.76 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 43095-98-3 |
| NORMAN SUSDAT | |
| PubChem | 170732 |
| ChemSpider | 149266.0 |