Molecule ID: mol34546

SMILES: c1ccc(-c2nnn(CCc3nnn(Cc4nnn[nH]4)n3)n2)cc1

InChI: InChI=1S/C12H12N12/c1-2-4-9(5-3-1)12-16-22-23(18-12)7-6-10-15-21-24(17-10)8-11-13-19-20-14-11/h1-5H,6-8H2,(H,13,14,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization