Molecule ID: mol17982

SMILES: c1ccc(-c2ccc3ccn4ccnc4c3n2)cc1

InChI: InChI=1S/C16H11N3/c1-2-4-12(5-3-1)14-7-6-13-8-10-19-11-9-17-16(19)15(13)18-14/h1-11H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.96 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization