Molecule ID: mol13250

SMILES: CCN(CC)CCSC1CCCCC1

InChI: InChI=1S/C12H25NS/c1-3-13(4-2)10-11-14-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization