Molecule ID: mol15196
SMILES: Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChI: InChI=1S/C13H13NO2S/c1-11-6-5-7-12(10-11)14-17(15,16)13-8-3-2-4-9-13/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.47 | AttenGpKa training set | 0 » -1 |
| 8.48 | OCHEM | 0 » -1 |
| 8.48 | Datawarrior | 0 » -1 |