Molecule ID: mol22527

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

InChI: InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.25 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization