Molecule ID: mol35024

SMILES: CC(C)(C)N/C(Cc1cccnc1)=N\C#N

InChI: InChI=1S/C12H16N4/c1-12(2,3)16-11(15-9-13)7-10-5-4-6-14-8-10/h4-6,8H,7H2,1-3H3,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.71 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization