Molecule ID: mol14220

SMILES: CC(=O)CCN1CCOCC1

InChI: InChI=1S/C8H15NO2/c1-8(10)2-3-9-4-6-11-7-5-9/h2-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization