Molecule ID: mol30651

SMILES: O=S(=O)(O)c1ccc(O)c(O)c1O

InChI: InChI=1S/C6H6O6S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2,7-9H,(H,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.39 AttenGpKa training set -1 » -2
11.40 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization