Molecule ID: mol21175

SMILES: NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)co1

InChI: InChI=1S/C10H9NO6S2/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.50 Baltruschat ChEMBL -1 » -2
9.35 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization