| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3071488 |
| InChI Key | ICJBHRVOMUBBCB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8Br1N1O3S1 |
| Molecular Weight | 300.94 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68399-97-3 |
| NORMAN SUSDAT | |
| PubChem | 110149 |
| ChemSpider | 98916.0 |