| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DU7HKC4H9L |
| EPA CompTox | DTXSID00240287 |
Structure
| InChI Key | DBKIEXOOUXQPGC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.06 |
| AlogP | 2.24 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94022-96-5 |
| NORMAN SUSDAT | |
| FDA SRS | DU7HKC4H9L |
| PubChem | 587845 |
CONTENTS
