Molecule ID: mol15421
SMILES: CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChI: InChI=1S/C12H17NO6S2/c1-12(2,3)19-11(14)13-21(17,18)10-7-5-9(6-8-10)20(4,15)16/h5-8H,1-4H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | Datawarrior | 0 » -1 |
| 3.76 | OCHEM | 0 » -1 |
| 3.76 | AttenGpKa training set | 0 » -1 |