Molecule ID: mol15073

SMILES: Cc1c2ccccc2c(CN2CCOCC2)c2ccccc12

InChI: InChI=1S/C20H21NO/c1-15-16-6-2-4-8-18(16)20(14-21-10-12-22-13-11-21)19-9-5-3-7-17(15)19/h2-9H,10-14H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization