Molecule ID: mol1320

SMILES: CC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C21H25NO2/c1-18(23)21(19-8-4-2-5-9-19,20-10-6-3-7-11-20)12-13-22-14-16-24-17-15-22/h2-11H,12-17H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.83 OCHEM 1 » 0
6.83 QSARToolbox 1 » 0
6.83 QSARToolbox 1 » 0
6.83 IUPAC digitized pKa 1 » 0
6.83 Datawarrior 1 » 0
6.83 Hunt 1 » 0
6.83 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization