Molecule ID: mol37677

SMILES: C#CC#CSC(=CC(C)N(C)C)SC#CC#C

InChI: InChI=1S/C14H13NS2/c1-6-8-10-16-14(17-11-9-7-2)12-13(3)15(4)5/h1-2,12-13H,3-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization