| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VJ5KD52WEX |
| EPA CompTox | DTXSID90186847 |
Structure
| InChI Key | PNGGWQMSHKIEAF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.05 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 53.31 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 332-50-3 |
| NORMAN SUSDAT | |
| FDA SRS | VJ5KD52WEX |
| PubChem | 67623 |
CONTENTS
