Molecule ID: mol14198

SMILES: Cc1cccc(NCCS)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization