Molecule ID: mol16089
SMILES: Nc1ccc(S(=O)(=O)c2c(O)cc(O)cc2O)cc1
InChI: InChI=1S/C12H11NO5S/c13-7-1-3-9(4-2-7)19(17,18)12-10(15)5-8(14)6-11(12)16/h1-6,14-16H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | Baltruschat ChEMBL | 0 » -1 |
| 9.62 | Baltruschat ChEMBL | -1 » -2 |