Molecule ID: mol35056

SMILES: CC(C)=C1C2C3(C(=O)O)C2(C(=O)O)C2(C(=O)O)C1C32C(=O)O

InChI: InChI=1S/C14H12O8/c1-3(2)4-5-11(7(15)16)12(5,8(17)18)14(10(21)22)6(4)13(11,14)9(19)20/h5-6H,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization