Molecule ID: mol35537

SMILES: Nc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H16N6/c14-9-3-4-11-12(6-9)19-13(18-11)16-5-1-2-10-7-15-8-17-10/h3-4,6-8H,1-2,5,14H2,(H,15,17)(H2,16,18,19)

Experimental Macro pKa Values

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