| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A76XI0HL37 |
| EPA CompTox | DTXSID0023030 |
| InChI Key | VMZUTJCNQWMAGF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H15ClN4S |
| Molecular Weight | 342.07 |
| AlogP | 4.2 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.07 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40054-69-1 |
| NORMAN SUSDAT | |
| FDA SRS | A76XI0HL37 |
| PubChem | 3307 |
| ChemSpider | 3191.0 |