| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00207158 |
Structure
| InChI Key | BQSYRDIUPNIUGC-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 | 58458-13-2 |
| NORMAN SUSDAT | |
| PubChem | 94059 |
CONTENTS
