| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6F82C6Q54C |
| EPA CompTox | DTXSID9021134 |
Structure
| InChI Key | FULZLIGZKMKICU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2S1 |
| Molecular Weight | 152.04 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.88 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 103-85-5 |
| NORMAN SUSDAT | |
| FDA SRS | 6F82C6Q54C |
| PubChem | 676454 |
| ChemSpider | 589165.0 |
CONTENTS
