Molecule ID: mol495

SMILES: Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1

InChI: InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization