Molecule ID: mol490

SMILES: c1ccc(SCc2ccccn2)cc1

InChI: InChI=1S/C12H11NS/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h1-9H,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization