Molecule ID: mol15813

SMILES: c1ccc(-c2nc3ccccc3s2)cc1

InChI: InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

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