Molecule ID: mol4696

SMILES: CC1Nc2ccncc2N=C1O

InChI: InChI=1S/C8H9N3O/c1-5-8(12)11-7-4-9-3-2-6(7)10-5/h2-5,10H,1H3,(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.85 IUPAC digitized pKa 0 » -1
12.28 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization