| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KE2UJU7MJJ |
| EPA CompTox | DTXSID8066761 |
| InChI Key | PWYNJONRUFAOFG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O5S1 |
| Molecular Weight | 250.97 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.51 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22117-79-9 |
| NORMAN SUSDAT | |
| FDA SRS | KE2UJU7MJJ |
| PubChem | 89600 |
| ChemSpider | 80869.0 |