Molecule ID: mol29764

SMILES: O=C1C(O)=C(c2ccc(O)c(O)c2)Cc2cc(O)ccc21

InChI: InChI=1S/C16H12O5/c17-10-2-3-11-9(5-10)6-12(16(21)15(11)20)8-1-4-13(18)14(19)7-8/h1-5,7,17-19,21H,6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.31 AttenGpKa training set -3 » -4
13.20 AttenGpKa training set -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization