Molecule ID: mol24113

SMILES: CNc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]

InChI: InChI=1S/C7H6BrN3O4/c1-9-7-5(10(12)13)2-4(8)3-6(7)11(14)15/h2-3,9H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.71 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization