| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4D7Z892MB3 |
| EPA CompTox | DTXSID3024653 |
| InChI Key | SKDNDVDHYMEGNJ-SOFGYWHQSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 226.96 |
| AlogP | 2.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7166-19-0 |
| NORMAN SUSDAT | |
| FDA SRS | 4D7Z892MB3 |