Molecule ID: mol11789
SMILES: Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChI: InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | AttenGpKa training set | 1 » 0 |
| 6.66 | OCHEM | 0 » -1 |
| 6.66 | Baltruschat ChEMBL | 0 » -1 |
| 8.07 | IUPAC digitized pKa | 0 » -1 |
| 8.89 | IUPAC digitized pKa | 0 » -1 |
| 8.89 | Datawarrior | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |
| 9.16 | AttenGpKa training set | 0 » -1 |