Molecule ID: mol2791

SMILES: CC(C)Cn1cnc2c(N)nc3ccccc3c21

InChI: InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.24 Novartis 1 » 0
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Charge States and Microspecies Visualization