Molecule ID: mol14928
SMILES: N#Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChI: InChI=1S/C13H10N2O2S/c14-10-11-5-4-6-12(9-11)15-18(16,17)13-7-2-1-3-8-13/h1-9,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | Datawarrior | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 7.18 | QSARToolbox | 0 » -1 |
| 7.18 | QSARToolbox | 0 » -1 |
| 7.18 | AttenGpKa training set | 0 » -1 |