| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5HX9DL6CCK |
| EPA CompTox | DTXSID40182071 |
| InChI Key | NPTFPGVUCJVNBW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H18N2O5S1 |
| Molecular Weight | 422.09 |
| AlogP | 3.65 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 126.56 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 27711-76-8 |
| NORMAN SUSDAT | |
| FDA SRS | 5HX9DL6CCK |
| PubChem | 78119 |
| ChemSpider | 70496.0 |