Molecule ID: mol31303

SMILES: O=c1cc(Br)c(O)c(Br)cc1Br

InChI: InChI=1S/C7H3Br3O2/c8-3-1-4(9)7(12)5(10)2-6(3)11/h1-2,12H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization