| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U8J7Q32B86 |
| EPA CompTox | DTXSID00201257 |
Structure
| InChI Key | CPEKAXYCDKETEN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5NOS |
| Molecular Weight | 163.01 |
| AlogP | 1.93 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 532-55-8 |
| NORMAN SUSDAT | |
| FDA SRS | U8J7Q32B86 |
| PubChem | 68284 |
CONTENTS
