| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VJ45J9GV4U |
| EPA CompTox | DTXSID60206667 |
Structure
| InChI Key | QKRJIXSZTKOFTD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5BrF3N |
| Molecular Weight | 238.96 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57946-63-1 |
| NORMAN SUSDAT | |
| FDA SRS | VJ45J9GV4U |
| PubChem | 93899 |
CONTENTS
