Molecule ID: mol14843

SMILES: Clc1ccc(-c2cnc(-c3ccccc3)o2)cc1

InChI: InChI=1S/C15H10ClNO/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-10H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization