| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MF9KR9FH4U |
| EPA CompTox | DTXSID50231504 |
| InChI Key | AEYNFHFXCAPUQI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H14Cl1N1O4S1 |
| Molecular Weight | 411.03 |
| AlogP | 4.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 80.31 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-14-4 |
| NORMAN SUSDAT | |
| FDA SRS | MF9KR9FH4U |
| PubChem | 66499 |
| ChemSpider | 59870.0 |