Molecule ID: mol25199

SMILES: O=[N+]([O-])c1cc[n+](O)cc1Br

InChI: InChI=1S/C5H4BrN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3,9H/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.84 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization