| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A53UZ3HDW4 |
| EPA CompTox | DTXSID9064552 |
| InChI Key | PIJNMVNHBRSTEJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7Cl1N2O3S1 |
| Molecular Weight | 221.99 |
| AlogP | 0.75 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 106.41 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7057-68-3 |
| NORMAN SUSDAT | |
| FDA SRS | A53UZ3HDW4 |
| PubChem | 81508 |
| ChemSpider | 73543.0 |