Molecule ID: mol34537

SMILES: c1ccc(-c2c[nH]c(CCCc3c[nH]cn3)n2)cc1

InChI: InChI=1S/C15H16N4/c1-2-5-12(6-3-1)14-10-17-15(19-14)8-4-7-13-9-16-11-18-13/h1-3,5-6,9-11H,4,7-8H2,(H,16,18)(H,17,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.55 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization