Molecule ID: mol36477

SMILES: c1ccc2cc(Nc3nnn[nH]3)ccc2c1

InChI: InChI=1S/C11H9N5/c1-2-4-9-7-10(6-5-8(9)3-1)12-11-13-15-16-14-11/h1-7H,(H2,12,13,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization