Molecule ID: mol35538

SMILES: Nc1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C12H14N6/c13-8-1-2-10-11(5-8)18-12(17-10)15-4-3-9-6-14-7-16-9/h1-2,5-7H,3-4,13H2,(H,14,16)(H2,15,17,18)

Experimental Macro pKa Values

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