| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0RR61TC330 |
| EPA CompTox | DTXSID7021867 |
| InChI Key | WDFQBORIUYODSI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Br1N1 |
| Molecular Weight | 170.97 |
| AlogP | 2.03 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 106-40-1 |
| NORMAN SUSDAT | |
| FDA SRS | 0RR61TC330 |
| PubChem | 7807 |
| ChemSpider | 7519.0 |