Molecule ID: mol34983

SMILES: CCC(=O)/C=C(\O)CC

InChI: InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization