Molecule ID: mol6650

SMILES: Cn1c([N+](=O)[O-])cnc1Br

InChI: InChI=1S/C4H4BrN3O2/c1-7-3(8(9)10)2-6-4(7)5/h2H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.75 IUPAC digitized pKa 1 » 0
-0.74 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization