Molecule ID: mol31264

SMILES: O=C1c2ccccc2C(S(=O)(=O)O)=CC1(O)O

InChI: InChI=1S/C10H8O6S/c11-9-7-4-2-1-3-6(7)8(17(14,15)16)5-10(9,12)13/h1-5,12-13H,(H,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization