Molecule ID: mol26871

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

InChI: InChI=1S/C5H7BrO2/c1-3(7)5(6)4(2)8/h5H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization