Molecule ID: mol4821

SMILES: Cc1ncc2ncc(O)nc2n1

InChI: InChI=1S/C7H6N4O/c1-4-8-2-5-7(10-4)11-6(12)3-9-5/h2-3H,1H3,(H,8,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.68 IUPAC digitized pKa 1 » 0
6.70 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization