Molecule ID: mol1161

SMILES: Clc1ccc(CNC(Cc2ccccc2)Cc2ccccc2)cc1

InChI: InChI=1S/C22H22ClN/c23-21-13-11-20(12-14-21)17-24-22(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,22,24H,15-17H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.10 IUPAC digitized pKa 1 » 0
6.10 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization