Molecule ID: mol36572

SMILES: COC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C18H16O4/c1-22-18(21)15(12-16(19)20)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.89 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization