| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10177590 |
| InChI Key | WUQDRRXKNVIWIR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Br1O2S1 |
| Molecular Weight | 295.95 |
| AlogP | 3.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.14 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23038-36-0 |
| NORMAN SUSDAT | |
| PubChem | 89970 |
| ChemSpider | 81217.0 |