Molecule ID: mol35417

SMILES: CCCCOc1ccccc1NC(=O)OCCN(CC)CC

InChI: InChI=1S/C17H28N2O3/c1-4-7-13-21-16-11-9-8-10-15(16)18-17(20)22-14-12-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization