Molecule ID: mol22556

SMILES: O=C(O)C1=CCC=C(C(=O)O)O1

InChI: InChI=1S/C7H6O5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h2-3H,1H2,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization