Molecule ID: mol34558

SMILES: c1nc(CCCc2nc(C3CCCCC3)c[nH]2)c[nH]1

InChI: InChI=1S/C15H22N4/c1-2-5-12(6-3-1)14-10-17-15(19-14)8-4-7-13-9-16-11-18-13/h9-12H,1-8H2,(H,16,18)(H,17,19)

Experimental Macro pKa Values

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