Molecule ID: mol3082

SMILES: CNC(C)=O

InChI: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization