| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 62E7C6B73W |
| EPA CompTox | DTXSID60181581 |
| InChI Key | IGBPZWZBEPBBTR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N3S1 |
| Molecular Weight | 143.05 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 52.53 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 27115-74-8 |
| NORMAN SUSDAT | |
| FDA SRS | 62E7C6B73W |
| PubChem | 147151 |
| ChemSpider | 129758.0 |