Molecule ID: mol31146

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

InChI: InChI=1S/C7H10O3/c1-5(8)3-7(10)4-6(2)9/h3-4,8,10H,1-2H3/b5-3-,7-4-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
13.50 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization