Molecule ID: mol27656

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

InChI: InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization