Molecule ID: mol3174

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

InChI: InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.11 AttenGpKa training set 1 » 0
-0.42 IUPAC digitized pKa 1 » 0
0.42 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization