Molecule ID: mol6551

SMILES: c1ccc(CNCCNCc2ccccn2)nc1

InChI: InChI=1S/C14H18N4/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h1-8,15-16H,9-12H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.62 IUPAC digitized pKa 4 » 3
1.81 IUPAC digitized pKa 4 » 3
5.45 IUPAC digitized pKa 2 » 1
8.34 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization