| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0052839 |
| InChI Key | MIWRSUQXSCLDNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N3O1S1 |
| Molecular Weight | 199.08 |
| AlogP | 1.6 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 58.9 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35045-02-4 |
| NORMAN SUSDAT | |
| PubChem | 37028 |
| ChemSpider | 33978.0 |