Molecule ID: mol29300

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

InChI: InChI=1S/C5H9NO2/c1-4(2)6-3-5(7)8/h3H2,1-2H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization