| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5968YP3D2X |
| EPA CompTox | DTXSID40174810 |
| InChI Key | ZIPUIRKPZYIHLV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6Br1N1S1 |
| Molecular Weight | 238.94 |
| AlogP | 3.29 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20738-25-4 |
| NORMAN SUSDAT | |
| FDA SRS | 5968YP3D2X |
| PubChem | 88677 |
| ChemSpider | 80014.0 |