Molecule ID: mol3953

SMILES: CC(CC(c1ccccc1)c1ccccc1)N1CCOCC1

InChI: InChI=1S/C20H25NO/c1-17(21-12-14-22-15-13-21)16-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization