Molecule ID: mol38031

SMILES: CNCCOc1cc(C)c(O)cc1C(C)C

InChI: InChI=1S/C13H21NO2/c1-9(2)11-8-12(15)10(3)7-13(11)16-6-5-14-4/h7-9,14-15H,5-6H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization