Molecule ID: mol29771

SMILES: O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O

InChI: InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.05 AttenGpKa training set 0 » -1
9.01 AttenGpKa training set -1 » -2
13.25 AttenGpKa training set -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization