Molecule ID: mol12003
SMILES: CC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1
InChI: InChI=1S/C14H14N2O3S/c1-10(17)11-3-2-4-13(9-11)16-20(18,19)14-7-5-12(15)6-8-14/h2-9,16H,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | AttenGpKa training set | 0 » -1 |