Molecule ID: mol13666

SMILES: ClCCN1CCOCC1

InChI: InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.27 QSARToolbox 1 » 0
6.27 Datawarrior 1 » 0
6.27 OCHEM 1 » 0
6.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization