Molecule ID: mol24077

SMILES: Nc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]

InChI: InChI=1S/C6H4BrN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.54 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization