Molecule ID: mol6683

SMILES: Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]

InChI: InChI=1S/C4H4N4O4/c1-6-2-3(7(9)10)5-4(6)8(11)12/h2H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization