Molecule ID: mol3175

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

InChI: InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.49 AttenGpKa training set 1 » 0
-0.28 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization