| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5UYG7DDL72 |
| EPA CompTox | DTXSID10231621 |
Structure
| InChI Key | SIPCFXFCVTUAID-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H3N1O2S1 |
| Molecular Weight | 128.99 |
| AlogP | 1.66 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 822-84-4 |
| NORMAN SUSDAT | |
| FDA SRS | 5UYG7DDL72 |
| PubChem | 69974 |
CONTENTS
