| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 70JKL15MUH |
| EPA CompTox | DTXSID0045888 |
| InChI Key | NRFJZTXWLKPZAV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N1O2S1 |
| Molecular Weight | 159.04 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 49.66 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1195-16-0 |
| NORMAN SUSDAT | |
| FDA SRS | 70JKL15MUH |
| PubChem | 14520 |
| ChemSpider | 13864.0 |