Molecule ID: mol30679

SMILES: O=C(c1ccccc1)c1ccc(O)cc1O

InChI: InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.26 AttenGpKa training set 0 » -1
11.42 AttenGpKa training set -1 » -2
11.58 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization