Molecule ID: mol29713

SMILES: O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.60 AttenGpKa training set 0 » -1
9.11 QSARToolbox -1 » -2
9.35 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization