| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H4154A0WOP |
| EPA CompTox | DTXSID7037553 |
| InChI Key | HHMCAJWVGYGUEF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H7F3N2O5 |
| Molecular Weight | 328.03 |
| AlogP | 4.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 95.51 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15457-05-3 |
| NORMAN SUSDAT | |
| FDA SRS | H4154A0WOP |
| PubChem | 27295 |
| ChemSpider | 25404.0 |