| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PU8C3H9KIY |
| EPA CompTox | DTXSID80232701 |
| InChI Key | PPLHLTAXAFQXGE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11Cl1F1N1O3 |
| Molecular Weight | 283.04 |
| AlogP | 3.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.33 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 83817-51-0 |
| NORMAN SUSDAT | |
| FDA SRS | PU8C3H9KIY |
| PubChem | 3019365 |
| ChemSpider | 2286611.0 |