| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A1PWS1V11M |
| EPA CompTox | DTXSID50190288 |
| InChI Key | BDSYDRBQHFQOQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2S1 |
| Molecular Weight | 150.03 |
| AlogP | 1.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 25.25 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36810-90-9 |
| NORMAN SUSDAT | |
| FDA SRS | A1PWS1V11M |
| PubChem | 2760420 |
| ChemSpider | 2041162.0 |