Molecule ID: mol7997

SMILES: O=c1nccc2n1CCN2

InChI: InChI=1S/C6H7N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-2,7H,3-4H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.99 IUPAC digitized pKa 1 » 0
12.50 AttenGpKa training set 0 » -1
12.60 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization