| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2070849 |
| InChI Key | XFOUJPUTCADLAU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13N1O4S1 |
| Molecular Weight | 315.06 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 100.62 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67923-48-2 |
| NORMAN SUSDAT | |
| PubChem | 106143 |
| ChemSpider | 93393.0 |