Molecule ID: mol9031

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

InChI: InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.80 QSARToolbox 0 » -1
2.80 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.80 OCHEM 0 » -1
2.80 OCHEM 0 » -1
2.83 QSARToolbox 0 » -1
2.88 AttenGpKa training set 0 » -1
2.88 Datawarrior 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.89 IUPAC digitized pKa 0 » -1
2.89 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization