| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NEP40W9Y41 |
| EPA CompTox | DTXSID4063799 |
Structure
| InChI Key | YZUKKTCDYSIWKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1N2S1 |
| Molecular Weight | 186.0 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.88 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5344-82-1 |
| NORMAN SUSDAT | |
| FDA SRS | NEP40W9Y41 |
| PubChem | 737139 |
| ChemSpider | 644204.0 |
CONTENTS
