Molecule ID: mol12899
SMILES: CC(C(N)=O)S(=O)(=O)NC(N)=O
InChI: InChI=1S/C4H9N3O4S/c1-2(3(5)8)12(10,11)7-4(6)9/h2H,1H3,(H2,5,8)(H3,6,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.21 | Datawarrior | 0 » -1 |
| 5.21 | OCHEM | 0 » -1 |
| 5.21 | AttenGpKa training set | 0 » -1 |
| 5.21 | QSARToolbox | 0 » -1 |
| 5.21 | QSARToolbox | 0 » -1 |