| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6VDR6P7W36 |
| EPA CompTox | DTXSID90210833 |
Structure
| InChI Key | HWIVIFYITAJUPW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9NOS |
| Molecular Weight | 215.04 |
| AlogP | 3.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 22.0 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 61856-49-3 |
| NORMAN SUSDAT | |
| FDA SRS | 6VDR6P7W36 |
| PubChem | 3017293 |
CONTENTS
