Molecule ID: mol7497

SMILES: COc1ccc(-c2cnc(SC)nc2)cc1

InChI: InChI=1S/C12H12N2OS/c1-15-11-5-3-9(4-6-11)10-7-13-12(16-2)14-8-10/h3-8H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization