Molecule ID: mol9760

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

InChI: InChI=1S/C6H9NO2/c1-4(2)5(3-7)6(8)9/h4-5H,1-2H3,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.01 IUPAC digitized pKa 0 » -1
2.30 IUPAC digitized pKa 0 » -1
2.32 IUPAC digitized pKa 0 » -1
2.34 IUPAC digitized pKa 0 » -1
2.37 IUPAC digitized pKa 0 » -1
2.40 OCHEM 0 » -1
2.40 QSARToolbox 0 » -1
2.40 QSARToolbox 0 » -1
2.43 IUPAC digitized pKa 0 » -1
2.45 IUPAC digitized pKa 0 » -1
2.48 IUPAC digitized pKa 0 » -1
2.51 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization