Molecule ID: mol31191

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

InChI: InChI=1S/C5H7BrO2/c1-3(7)5(6)4(2)8/h7H,1-2H3/b5-3+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization