| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 49GC5DRZ2F |
| EPA CompTox | DTXSID00209733 |
Structure
| InChI Key | BRFIPEIKLLLCJW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Br3N1 |
| Molecular Weight | 326.79 |
| AlogP | 3.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 609-17-6 |
| NORMAN SUSDAT | |
| FDA SRS | 49GC5DRZ2F |
| PubChem | 69106 |
| ChemSpider | 62323.0 |
CONTENTS
