Molecule ID: mol38139

SMILES: c1c(C2=NCCCN2)cc(C2=NCCCN2)cc1C1=NCCCN1

InChI: InChI=1S/C18H24N6/c1-4-19-16(20-5-1)13-10-14(17-21-6-2-7-22-17)12-15(11-13)18-23-8-3-9-24-18/h10-12H,1-9H2,(H,19,20)(H,21,22)(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.90 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization