Molecule ID: mol34545

SMILES: c1ccc(-c2nnn(CCCc3nnnn3Cc3nnn[nH]3)n2)cc1

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

Experimental Macro pKa Values

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