Molecule ID: mol14736
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1
InChI: InChI=1S/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | QSARToolbox | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |
| 4.02 | Datawarrior | 0 » -1 |
| 4.02 | OCHEM | 0 » -1 |
| 8.24 | AttenGpKa training set | -1 » -2 |