Molecule ID: mol36481

SMILES: c1ccc2c(Nc3nnn[nH]3)cccc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization