Molecule ID: mol7028

SMILES: Cc1ncc(C#N)c(N)n1

InChI: InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.51 QSARToolbox 1 » 0
3.51 OCHEM 1 » 0
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Charge States and Microspecies Visualization