Molecule ID: mol33907

SMILES: CCN(CC)CCOC(=O)Nc1ccccc1

InChI: InChI=1S/C13H20N2O2/c1-3-15(4-2)10-11-17-13(16)14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization