Molecule ID: mol14830

SMILES: c1cc(N2CCOCC2)ccc1N1CCCCC1

InChI: InChI=1S/C15H22N2O/c1-2-8-16(9-3-1)14-4-6-15(7-5-14)17-10-12-18-13-11-17/h4-7H,1-3,8-13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization