| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5071705 |
| InChI Key | VPPPQFAKKFQYGQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl1N1O4S1 |
| Molecular Weight | 248.99 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 77.28 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68631-04-9 |
| NORMAN SUSDAT | |
| PubChem | 111492 |
| ChemSpider | 100043.0 |