Molecule ID: mol12479

SMILES: CCCCSCCN

InChI: InChI=1S/C6H15NS/c1-2-3-5-8-6-4-7/h2-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization