| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2067870 |
| InChI Key | WXOSHVARKGGGQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15N1O4S1 |
| Molecular Weight | 377.07 |
| AlogP | 4.26 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 89.62 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34740-81-3 |
| NORMAN SUSDAT | |
| PubChem | 118727 |
| ChemSpider | 106099.0 |