Molecule ID: mol16284
SMILES: Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C
InChI: InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | AttenGpKa training set | 0 » -1 |
| 9.72 | Baltruschat ChEMBL | 0 » -1 |