Molecule ID: mol15819

SMILES: c1ccc(-c2ccc3nccn3n2)cc1

InChI: InChI=1S/C12H9N3/c1-2-4-10(5-3-1)11-6-7-12-13-8-9-15(12)14-11/h1-9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization