Molecule ID: mol1876

SMILES: N#CCC(=O)O

InChI: InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.30 QSARToolbox 0 » -1
2.33 QSARToolbox 0 » -1
2.33 IUPAC digitized pKa 0 » -1
2.45 IUPAC digitized pKa 0 » -1
2.45 IUPAC digitized pKa 0 » -1
2.45 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.45 OCHEM 0 » -1
2.45 OCHEM 0 » -1
2.45 Hunt 0 » -1
2.45 OCHEM 0 » -1
2.45 OCHEM 0 » -1
2.45 OCHEM 0 » -1
2.45 OCHEM 0 » -1
2.45 QSARToolbox 0 » -1
2.45 QSARToolbox 0 » -1
2.45 IUPAC digitized pKa 0 » -1
2.46 IUPAC digitized pKa 0 » -1
2.46 Datawarrior 0 » -1
2.46 OCHEM 0 » -1
2.46 OCHEM 0 » -1
2.46 OCHEM 0 » -1
2.47 AttenGpKa training set 0 » -1
2.47 QSARToolbox 0 » -1
2.47 QSARToolbox 0 » -1
2.47 QSARToolbox 0 » -1
2.47 QSARToolbox 0 » -1
2.47 QSARToolbox 0 » -1
2.47 QSARToolbox 0 » -1
2.47 IUPAC digitized pKa 0 » -1
2.48 IUPAC digitized pKa 0 » -1
2.49 QSARToolbox 0 » -1
2.49 QSARToolbox 0 » -1
2.50 IUPAC digitized pKa 0 » -1
2.50 IUPAC digitized pKa 0 » -1
2.51 IUPAC digitized pKa 0 » -1
2.53 IUPAC digitized pKa 0 » -1
2.53 QSARToolbox 0 » -1
2.53 QSARToolbox 0 » -1
3.80 QSARToolbox 0 » -1
3.80 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization