Molecule ID: mol30884

SMILES: O=S(=O)(O)c1cc(Cl)cc(S(=O)(=O)O)c1O

InChI: InChI=1S/C6H5ClO7S2/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14/h1-2,8H,(H,9,10,11)(H,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.00 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization