Molecule ID: mol3127

SMILES: CCC(N)=O

InChI: InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.86 AttenGpKa training set 1 » 0
-0.49 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization