Molecule ID: mol12882

SMILES: CCN(CC)CCSCC(C)C

InChI: InChI=1S/C10H23NS/c1-5-11(6-2)7-8-12-9-10(3)4/h10H,5-9H2,1-4H3

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