| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70167856 |
| InChI Key | USEXQPWLCGBYNT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10Br1N1 |
| Molecular Weight | 199.0 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 3.24 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16518-62-0 |
| NORMAN SUSDAT | |
| PubChem | 140102 |
| ChemSpider | 21169887.0 |