| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 45626LTY32 |
| EPA CompTox | DTXSID3032335 |
| InChI Key | PGMZYNZXIYOOHJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Br2N1O2 |
| Molecular Weight | 344.9 |
| AlogP | 3.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3861-41-4 |
| NORMAN SUSDAT | |
| FDA SRS | 45626LTY32 |
| PubChem | 62526 |
| ChemSpider | 56300.0 |