Molecule ID: mol35911

SMILES: CCOc1ccc(C(=O)OCCN(CC)CC)cc1OCC

InChI: InChI=1S/C17H27NO4/c1-5-18(6-2)11-12-22-17(19)14-9-10-15(20-7-3)16(13-14)21-8-4/h9-10,13H,5-8,11-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization