| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7J37J4W2L6 |
| EPA CompTox | DTXSID50215985 |
Structure
| InChI Key | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6F2O2 |
| Molecular Weight | 172.03 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 658-93-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7J37J4W2L6 |
| PubChem | 69571 |
CONTENTS
