Molecule ID: mol31112

SMILES: COC(=O)/C=C(/C)O

InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3,6H,1-2H3/b4-3-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization