Molecule ID: mol6479

SMILES: Cc1cncc(C)c1[N+](=O)[O-]

InChI: InChI=1S/C7H8N2O2/c1-5-3-8-4-6(2)7(5)9(10)11/h3-4H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.42 IUPAC digitized pKa 1 » 0
2.51 IUPAC digitized pKa 1 » 0
2.51 OCHEM 1 » 0
2.63 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization