| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HJ7V98MU87 |
| EPA CompTox | DTXSID00177387 |
Structure
| InChI Key | VRPQCVLBOZOYCG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O1S1 |
| Molecular Weight | 165.02 |
| AlogP | 2.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 21.59 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2284-20-0 |
| NORMAN SUSDAT | |
| FDA SRS | HJ7V98MU87 |
| PubChem | 75293 |
| ChemSpider | 67835.0 |
CONTENTS
