Molecule ID: mol28713
SMILES: COc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1C
InChI: InChI=1S/C15H16N2O4S/c1-10-9-11(3-8-14(10)21-2)15(18)17-22(19,20)13-6-4-12(16)5-7-13/h3-9H,16H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | AttenGpKa training set | 0 » -1 |