Molecule ID: mol29566

SMILES: COc1cc2c(cc1O)C(C)NCC2

InChI: InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.83 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization