Molecule ID: mol14068

SMILES: CCCSCCN(CC)CC

InChI: InChI=1S/C9H21NS/c1-4-8-11-9-7-10(5-2)6-3/h4-9H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization