Molecule ID: mol22593

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

InChI: InChI=1S/C4H3BrO4/c5-2(4(8)9)1-3(6)7/h1H,(H,6,7)(H,8,9)/b2-1-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.46 AttenGpKa training set 0 » -1
3.57 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization