| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 539HCC6WL9 |
| EPA CompTox | DTXSID50196386 |
Structure
| InChI Key | RSVZYSKAPMBSMY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8F4O2 |
| Molecular Weight | 200.05 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 45102-52-1 |
| NORMAN SUSDAT | |
| FDA SRS | 539HCC6WL9 |
| PubChem | 123515 |
| ChemSpider | 110110.0 |
CONTENTS
