Molecule ID: mol2941

SMILES: Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1N2

InChI: InChI=1S/C18H18ClN3/c19-13-8-9-16-17(12-13)21-18(22-10-4-1-5-11-22)14-6-2-3-7-15(14)20-16/h2-3,6-9,12,20H,1,4-5,10-11H2

Experimental Macro pKa Values

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