Molecule ID: mol12689

SMILES: COc1ccc(NCCS)cc1

InChI: InChI=1S/C9H13NOS/c1-11-9-4-2-8(3-5-9)10-6-7-12/h2-5,10,12H,6-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization