Molecule ID: mol11917
SMILES: O=C(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1O
InChI: InChI=1S/C13H11NO5S/c15-12-8-9(6-7-11(12)13(16)17)14-20(18,19)10-4-2-1-3-5-10/h1-8,14-15H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | IUPAC digitized pKa | -1 » -2 |
| 7.61 | AttenGpKa training set | -1 » -2 |