Molecule ID: mol34568

SMILES: c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1

InChI: InChI=1S/C18H27N3O3/c1-7-22-8-2-19(1)16-13-17(20-3-9-23-10-4-20)15-18(14-16)21-5-11-24-12-6-21/h13-15H,1-12H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.07 QSARToolbox 2 » 1
2.45 QSARToolbox 2 » 1
3.40 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization