Molecule ID: mol13251

SMILES: CCCCCSC(=N)c1ccccc1

InChI: InChI=1S/C12H17NS/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9,13H,2-3,7,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization