Molecule ID: mol31366

SMILES: O=C(O)c1ccc(OO)cc1

InChI: InChI=1S/C7H6O4/c8-7(9)5-1-3-6(11-10)4-2-5/h1-4,10H,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization