Molecule ID: mol13126

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

InChI: InChI=1S/C7H11NO2/c1-5(4-8)7(2,3)6(9)10/h5H,1-3H3,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.97 Datawarrior 0 » -1
3.97 OCHEM 0 » -1
3.97 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization