Molecule ID: mol14967
SMILES: COc1cccc(NS(=O)(=O)c2ccccc2)c1
InChI: InChI=1S/C13H13NO3S/c1-17-12-7-5-6-11(10-12)14-18(15,16)13-8-3-2-4-9-13/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | AttenGpKa training set | 0 » -1 |
| 7.95 | OCHEM | 0 » -1 |
| 7.95 | Datawarrior | 0 » -1 |