Molecule ID: mol22882

SMILES: O=C(O)c1ccc2cccc(O)c2c1O

InChI: InChI=1S/C11H8O4/c12-8-3-1-2-6-4-5-7(11(14)15)10(13)9(6)8/h1-5,12-13H,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization