| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3VW9D8KD6R |
| EPA CompTox | DTXSID40179522 |
Structure
| InChI Key | XZNLSDPNMNWCRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H4F6O2 |
| Molecular Weight | 258.01 |
| AlogP | 3.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24821-22-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3VW9D8KD6R |
| PubChem | 90618 |
CONTENTS
