Molecule ID: mol21785

SMILES: CC=CC(=O)O

InChI: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.17 Organic Oxygen Acids and Nitrogen Bases 0 » -1
4.17 Organic Oxygen Acids and Nitrogen Bases 0 » -1
4.17 QSARToolbox 0 » -1
4.44 QSARToolbox 0 » -1
4.44 QSARToolbox 0 » -1
4.69 QSARToolbox 0 » -1
4.69 QSARToolbox 0 » -1
4.69 QSARToolbox 0 » -1
4.69 QSARToolbox 0 » -1
4.69 QSARToolbox 0 » -1
4.70 OCHEM 0 » -1
4.70 QSARToolbox 0 » -1
4.70 QSARToolbox 0 » -1
4.70 QSARToolbox 0 » -1
4.71 QSARToolbox 0 » -1
4.79 OCHEM 0 » -1
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Charge States and Microspecies Visualization