Molecule ID: mol33839

SMILES: O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O

InChI: InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization