| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IOS7W692N5 |
| EPA CompTox | DTXSID00891450 |
| InChI Key | UDCDOJQOXWCCSD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O2S1 |
| Molecular Weight | 214.08 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.41 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 66840-71-9 |
| NORMAN SUSDAT | |
| FDA SRS | IOS7W692N5 |
| PubChem | 738302 |
| ChemSpider | 645289.0 |