Molecule ID: mol26495

SMILES: C[n+]1nn(O)c2cccc([N+](=O)[O-])c21

InChI: InChI=1S/C7H7N4O3/c1-9-7-5(10(12)8-9)3-2-4-6(7)11(13)14/h2-4H,1H3,(H,8,12)/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization