| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50997097 |
| InChI Key | KORHRZLLIUEBSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16N2S |
| Molecular Weight | 232.1 |
| AlogP | 3.66 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 16.13 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 75654-98-7 |
| NORMAN SUSDAT | |
| PubChem | 3018611 |