Molecule ID: mol22351

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

InChI: InChI=1S/C4H5BrO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization