Molecule ID: mol14199

SMILES: Cc1ccc(NCCS)cc1

InChI: InChI=1S/C9H13NS/c1-8-2-4-9(5-3-8)10-6-7-11/h2-5,10-11H,6-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization