| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60207275 |
| InChI Key | PEKXZCZTNAVIJC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Br1N2O3 |
| Molecular Weight | 295.98 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.35 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 58561-09-4 |
| NORMAN SUSDAT | |
| PubChem | 94107 |
| ChemSpider | 84929.0 |