Molecule ID: mol26496

SMILES: C[n+]1nn(O)c2cc([N+](=O)[O-])ccc21

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.35 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization