| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HLR49221FQ |
| EPA CompTox | DTXSID60212485 |
Structure
| InChI Key | DYSJMQABFPKAQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6O2S1 |
| Molecular Weight | 178.01 |
| AlogP | 2.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6314-28-9 |
| NORMAN SUSDAT | |
| FDA SRS | HLR49221FQ |
| PubChem | 95864 |
| ChemSpider | 65539.0 |
CONTENTS
