Molecule ID: mol820
SMILES: Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChI: InChI=1S/C13H13NO2S/c1-11-7-9-12(10-8-11)14-17(15,16)13-5-3-2-4-6-13/h2-10,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.62 | QSARToolbox | 0 » -1 |
| 8.62 | QSARToolbox | 0 » -1 |
| 8.63 | Datawarrior | 0 » -1 |
| 8.63 | OCHEM | 0 » -1 |
| 8.64 | IUPAC digitized pKa | 0 » -1 |
| 8.64 | Hunt | 0 » -1 |
| 8.64 | AttenGpKa training set | 0 » -1 |
| 8.64 | QSARToolbox | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | Baltruschat ChEMBL | 0 » -1 |