| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8J811U85U2 |
| EPA CompTox | DTXSID9041445 |
| InChI Key | TXOKQMSSJAIOPM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6N2O1S1 |
| Molecular Weight | 190.02 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.79 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61516-68-5 |
| NORMAN SUSDAT | |
| FDA SRS | 8J811U85U2 |