Molecule ID: mol23491

SMILES: O=C(O)Cc1ccc(S(=O)(=O)O)cc1

InChI: InChI=1S/C8H8O5S/c9-8(10)5-6-1-3-7(4-2-6)14(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization