Molecule ID: mol18703

SMILES: Clc1ccc(Cc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C20H14ClN/c21-15-11-9-14(10-12-15)13-18-16-5-1-3-7-19(16)22-20-8-4-2-6-17(18)20/h1-12H,13H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.06 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization