Molecule ID: mol34543

SMILES: c1ccc(-c2nnn(CCCc3nnn(Cc4nnn[nH]4)n3)n2)cc1

InChI: InChI=1S/C13H14N12/c1-2-5-10(6-3-1)13-17-23-24(19-13)8-4-7-11-16-22-25(18-11)9-12-14-20-21-15-12/h1-3,5-6H,4,7-9H2,(H,14,15,20,21)

Experimental Macro pKa Values

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