Molecule ID: mol34606

SMILES: COc1ccc(C(=C(CC(=O)O)C(=O)O)c2ccc(OC)cc2)cc1

InChI: InChI=1S/C19H18O6/c1-24-14-7-3-12(4-8-14)18(16(19(22)23)11-17(20)21)13-5-9-15(25-2)10-6-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.55 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization