Molecule ID: mol30590

SMILES: O=S(O)c1cc(O)ccc1O

InChI: InChI=1S/C6H6O4S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3,7-8H,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization