Molecule ID: mol11924
SMILES: Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C13H14N2O2S/c1-10-2-6-12(7-3-10)15-18(16,17)13-8-4-11(14)5-9-13/h2-9,15H,14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | AttenGpKa training set | 1 » 0 |
| 9.25 | IUPAC digitized pKa | 0 » -1 |
| 9.54 | AttenGpKa training set | 0 » -1 |