| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QB2GYZ4TV8 |
| EPA CompTox | DTXSID9069554 |
Structure
| InChI Key | RBAJFFLBHVZCDY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Br2N1O3 |
| Molecular Weight | 322.88 |
| AlogP | 3.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62265-99-0 |
| NORMAN SUSDAT | |
| FDA SRS | QB2GYZ4TV8 |
| PubChem | 112823 |
| ChemSpider | 101117.0 |
CONTENTS
