Molecule ID: mol12439

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

InChI: InChI=1S/C6H6O2/c1-2-3-4-5-6(7)8/h2-3H,1H3,(H,7,8)/b3-2+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.66 AttenGpKa training set 0 » -1
2.67 Datawarrior 0 » -1
2.67 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization