Molecule ID: mol11790
SMILES: Nc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChI: InChI=1S/C12H12N2O2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h1-9,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.05 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | Datawarrior | 0 » -1 |
| 9.05 | AttenGpKa training set | 0 » -1 |
| 9.05 | QSARToolbox | 0 » -1 |
| 9.05 | OCHEM | 0 » -1 |
| 10.29 | OCHEM | 0 » -1 |
| 10.29 | OCHEM | 0 » -1 |
| 10.29 | Baltruschat ChEMBL | 0 » -1 |