Molecule ID: mol34986

SMILES: CCC(C)(C)NC(=NC#N)Nc1cccnc1

InChI: InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)

Experimental Macro pKa Values

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