Molecule ID: mol13709
SMILES: CC(C)(C(N)=O)S(=O)(=O)NC(N)=O
InChI: InChI=1S/C5H11N3O4S/c1-5(2,3(6)9)13(11,12)8-4(7)10/h1-2H3,(H2,6,9)(H3,7,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | Datawarrior | 0 » -1 |
| 5.15 | AttenGpKa training set | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |