Molecule ID: mol27153

SMILES: CNC(=O)C(C)C

InChI: InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.14 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization