Molecule ID: mol12690

SMILES: COc1cccc(NCCS)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization