| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0448DT2KKS |
| EPA CompTox | DTXSID10146483 |
| InChI Key | NJZCRXQWPNNJNB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9F3N2O3 |
| Molecular Weight | 250.06 |
| AlogP | 2.02 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 75.4 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10442-83-8 |
| NORMAN SUSDAT | |
| FDA SRS | 0448DT2KKS |
| PubChem | 2799157 |
| ChemSpider | 2077896.0 |