Molecule ID: mol34552

SMILES: c1ccc(-c2nnn(Cc3nnnn3Cc3nnn[nH]3)n2)cc1

InChI: InChI=1S/C11H10N12/c1-2-4-8(5-3-1)11-15-20-23(16-11)7-10-14-19-21-22(10)6-9-12-17-18-13-9/h1-5H,6-7H2,(H,12,13,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization