Molecule ID: mol6521

SMILES: CNc1ccc([N+](=O)[O-])cn1

InChI: InChI=1S/C6H7N3O2/c1-7-6-3-2-5(4-8-6)9(10)11/h2-4H,1H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization