| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CQ59MX5PRK |
| EPA CompTox | DTXSID80186351 |
Structure
| InChI Key | UXUCVNXUWOLPRU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H2Cl1N1S1 |
| Molecular Weight | 106.96 |
| AlogP | 1.4 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3268-79-9 |
| NORMAN SUSDAT | |
| FDA SRS | CQ59MX5PRK |
| PubChem | 76755 |
| ChemSpider | 69211.0 |
CONTENTS
