| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| InChI Key | AYCCQDIBOMUCEW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H18N2O8S1 |
| Molecular Weight | 398.08 |
| AlogP | 0.27 |
| Hydrogen Bond Acceptor | 11.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 132.23 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 674773-13-8 |
| NORMAN SUSDAT | |
| PubChem | 11516837 |
| ChemSpider | 9691625.0 |