| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40211638 |
| InChI Key | KBLRWVXBAOMMNQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H13N1O3S1 |
| Molecular Weight | 347.06 |
| AlogP | 3.9 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 62591-95-1 |
| NORMAN SUSDAT | |
| PubChem | 112870 |
| ChemSpider | 101160.0 |