Molecule ID: mol14927
SMILES: N#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChI: InChI=1S/C13H10N2O2S/c14-10-11-6-8-12(9-7-11)15-18(16,17)13-4-2-1-3-5-13/h1-9,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | QSARToolbox | 0 » -1 |
| 6.70 | QSARToolbox | 0 » -1 |
| 6.70 | AttenGpKa training set | 0 » -1 |
| 6.78 | Datawarrior | 0 » -1 |
| 6.78 | OCHEM | 0 » -1 |
| 6.84 | QSARToolbox | 0 » -1 |