| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70350105 |
| InChI Key | GWDNDNTTXIIXRS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10N2S1 |
| Molecular Weight | 226.06 |
| AlogP | 3.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.64 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21331-43-1 |
| NORMAN SUSDAT | |
| PubChem | 673702 |
| ChemSpider | 586588.0 |