Molecule ID: mol15393
SMILES: Cc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1C
InChI: InChI=1S/C15H16N2O3S/c1-10-3-4-12(9-11(10)2)15(18)17-21(19,20)14-7-5-13(16)6-8-14/h3-9H,16H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | Datawarrior | 0 » -1 |
| 4.95 | AttenGpKa training set | 0 » -1 |