| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80192513 |
| InChI Key | OATYCBHROMXWJO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Br1N2 |
| Molecular Weight | 195.96 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 49.81 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39263-32-6 |
| NORMAN SUSDAT | |
| PubChem | 429740 |
| ChemSpider | 380102.0 |