Molecule ID: mol25512

SMILES: Cc1nc([N+](=O)[O-])c(Br)[nH]1

InChI: InChI=1S/C4H4BrN3O2/c1-2-6-3(5)4(7-2)8(9)10/h1H3,(H,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.55 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization