| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 51DKA727XQ |
| EPA CompTox | DTXSID8032386 |
| InChI Key | PTFJIKYUEPWBMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H14F3N3O4 |
| Molecular Weight | 333.09 |
| AlogP | 3.92 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55283-68-6 |
| NORMAN SUSDAT | |
| FDA SRS | 51DKA727XQ |
| PubChem | 41381 |
| ChemSpider | 37761.0 |