Molecule ID: mol12898
SMILES: CNC(=O)CS(=O)(=O)NC(N)=O
InChI: InChI=1S/C4H9N3O4S/c1-6-3(8)2-12(10,11)7-4(5)9/h2H2,1H3,(H,6,8)(H3,5,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | QSARToolbox | 0 » -1 |
| 4.89 | OCHEM | 0 » -1 |
| 4.89 | Datawarrior | 0 » -1 |
| 4.89 | AttenGpKa training set | 0 » -1 |