Molecule ID: mol17094

SMILES: CC1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N

InChI: InChI=1S/C16H16N4/c1-11-15(17)20-16(2,19-11)14-7-3-5-12(9-14)13-6-4-8-18-10-13/h3-10H,1-2H3,(H2,17,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization