| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VEC3B6K9HF |
| EPA CompTox | DTXSID10224331 |
Structure
| InChI Key | VHJHZYSXJKREEE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6F4O2 |
| Molecular Weight | 186.03 |
| AlogP | 1.62 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7383-71-3 |
| NORMAN SUSDAT | |
| FDA SRS | VEC3B6K9HF |
| PubChem | 81865 |
| ChemSpider | 73874.0 |
CONTENTS
