Molecule ID: mol24661

SMILES: CCCCN1CCN(c2ccccc2OC)CC1

InChI: InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.23 QSARToolbox 1 » 0
8.33 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization