Molecule ID: mol12642

SMILES: CC(C)SC(=N)c1ccccc1

InChI: InChI=1S/C10H13NS/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8,11H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization