| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071294 |
| InChI Key | DELFPZLNAZAZRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11N1O3S1 |
| Molecular Weight | 249.05 |
| AlogP | 2.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.39 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68227-69-0 |
| NORMAN SUSDAT | |
| PubChem | 109844 |
| ChemSpider | 70346.0 |