Molecule ID: mol33791

SMILES: COc1c(C)cc(C=O)c(C=O)c1C(=O)O

InChI: InChI=1S/C11H10O5/c1-6-3-7(4-12)8(5-13)9(11(14)15)10(6)16-2/h3-5H,1-2H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization