Molecule ID: mol16203
SMILES: Nc1ccc(S(=O)(=O)c2ccc(O)cc2O)cc1
InChI: InChI=1S/C12H11NO4S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7,14-15H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.67 | Baltruschat ChEMBL | 0 » -1 |
| 10.14 | Baltruschat ChEMBL | -1 » -2 |