| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KKX9XE8BY2 |
| EPA CompTox | DTXSID10186985 |
| InChI Key | AGKFMUXEONTGAH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H18Cl1N1O3 |
| Molecular Weight | 319.1 |
| AlogP | 3.32 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 48.3 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33369-30-1 |
| NORMAN SUSDAT | |
| FDA SRS | KKX9XE8BY2 |
| PubChem | 118463 |
| ChemSpider | 105882.0 |