Molecule ID: mol15116

SMILES: OC1(c2ccco2)CN2CCC1CC2

InChI: InChI=1S/C11H15NO2/c13-11(10-2-1-7-14-10)8-12-5-3-9(11)4-6-12/h1-2,7,9,13H,3-6,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization