Molecule ID: mol6550

SMILES: c1ccc(CCNCc2ccccn2)nc1

InChI: InChI=1S/C13H15N3/c1-3-8-15-12(5-1)7-10-14-11-13-6-2-4-9-16-13/h1-6,8-9,14H,7,10-11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.22 IUPAC digitized pKa 3 » 2
4.00 IUPAC digitized pKa 2 » 1
8.20 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization