Molecule ID: mol26510

SMILES: COc1cc2nc(C)[nH]c2cc1[N+](=O)[O-]

InChI: InChI=1S/C9H9N3O3/c1-5-10-6-3-8(12(13)14)9(15-2)4-7(6)11-5/h3-4H,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization