| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | V55R69267Q |
| EPA CompTox | DTXSID10867929 |
Structure
| InChI Key | YDSVAKPJAOSZJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2S1 |
| Molecular Weight | 168.07 |
| AlogP | 1.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 24.92 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70590-58-8 |
| NORMAN SUSDAT | |
| FDA SRS | V55R69267Q |
CONTENTS
