Molecule ID: mol38013

SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccccn5)nc4c3n2)nc1

InChI: InChI=1S/C22H14N4/c1-3-13-23-17(5-1)19-11-9-15-7-8-16-10-12-20(18-6-2-4-14-24-18)26-22(16)21(15)25-19/h1-14H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization