| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AUN83T85KS |
| EPA CompTox | DTXSID9026899 |
| InChI Key | NDVLTZFQVDXFAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2S1 |
| Molecular Weight | 140.04 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 47.58 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-97-7 |
| NORMAN SUSDAT | |
| FDA SRS | AUN83T85KS |
| PubChem | 8151 |
| ChemSpider | 7859.0 |