Molecule ID: mol12881

SMILES: CC(C)CN(CCS)CC(C)C

InChI: InChI=1S/C10H23NS/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization