| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6EE7260GUN |
| EPA CompTox | DTXSID9060948 |
| InChI Key | JDXKTOBMLZLCSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N3S1 |
| Molecular Weight | 167.05 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.91 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 645-48-7 |
| NORMAN SUSDAT | |
| FDA SRS | 6EE7260GUN |
| PubChem | 2781094 |
| ChemSpider | 2061282.0 |