| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 22MQU398E8 |
| EPA CompTox | DTXSID20232700 |
| InChI Key | QFOIBTBRETTXIK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12Cl1N1O3 |
| Molecular Weight | 265.05 |
| AlogP | 3.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.33 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 83817-50-9 |
| NORMAN SUSDAT | |
| FDA SRS | 22MQU398E8 |
| PubChem | 3019364 |
| ChemSpider | 2286610.0 |