Molecule ID: mol38102

SMILES: O=C(CCN1CCOCC1)CN1C(=O)C2CC=CCC2C1=O

InChI: InChI=1S/C16H22N2O4/c19-12(5-6-17-7-9-22-10-8-17)11-18-15(20)13-3-1-2-4-14(13)16(18)21/h1-2,13-14H,3-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization