Molecule ID: mol36197

SMILES: Clc1ccc(N/N=C/c2ccccn2)nc1

InChI: InChI=1S/C11H9ClN4/c12-9-4-5-11(14-7-9)16-15-8-10-3-1-2-6-13-10/h1-8H,(H,14,16)/b15-8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.07 QSARToolbox 2 » 1
4.69 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization