Molecule ID: mol22955

SMILES: CS(=O)(=O)c1ccc(O)c(C(=O)O)c1

InChI: InChI=1S/C8H8O5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.29 AttenGpKa training set 0 » -1
10.88 QSARToolbox -1 » -2
10.88 QSARToolbox -1 » -2
11.35 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization