| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FA2L2YY5KZ |
| EPA CompTox | DTXSID80183986 |
Structure
| InChI Key | WBRPQQSADOCKCH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1S1 |
| Molecular Weight | 139.05 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2987-53-3 |
| NORMAN SUSDAT | |
| FDA SRS | FA2L2YY5KZ |
| PubChem | 76337 |
| ChemSpider | 2018712.0 |
CONTENTS
