Molecule ID: mol12004
SMILES: CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C14H14N2O3S/c1-10(17)11-2-6-13(7-3-11)16-20(18,19)14-8-4-12(15)5-9-14/h2-9,16H,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | IUPAC digitized pKa | 0 » -1 |
| 7.61 | AttenGpKa training set | 0 » -1 |