Molecule ID: mol6520

SMILES: CNc1ncccc1[N+](=O)[O-]

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization