Molecule ID: mol14895

SMILES: OC1(c2cc3ccccc3o2)CN2CCC1CC2

InChI: InChI=1S/C15H17NO2/c17-15(10-16-7-5-12(15)6-8-16)14-9-11-3-1-2-4-13(11)18-14/h1-4,9,12,17H,5-8,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization