| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8B8TXV456R |
| EPA CompTox | DTXSID7059519 |
| InChI Key | RPKWNMFDAOACCX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Cl1N1O5S1 |
| Molecular Weight | 236.95 |
| AlogP | 1.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 97.51 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 121-18-6 |
| NORMAN SUSDAT | |
| FDA SRS | 8B8TXV456R |
| PubChem | 67132 |
| ChemSpider | 60479.0 |