Molecule ID: mol25952

SMILES: Clc1ccccc1Nc1nnn[nH]1

InChI: InChI=1S/C7H6ClN5/c8-5-3-1-2-4-6(5)9-7-10-12-13-11-7/h1-4H,(H2,9,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization