| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3066764 |
| InChI Key | JJQOKUCYWIGCIN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21Cl1N2O1 |
| Molecular Weight | 352.13 |
| AlogP | 6.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 29.27 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22159-33-7 |
| NORMAN SUSDAT | |
| PubChem | 89611 |
| ChemSpider | 80879.0 |