Molecule ID: mol24420

SMILES: CC(C)NCC(O)COc1c2ccccc2cc2ccccc12

InChI: InChI=1S/C20H23NO2/c1-14(2)21-12-17(22)13-23-20-18-9-5-3-7-15(18)11-16-8-4-6-10-19(16)20/h3-11,14,17,21-22H,12-13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization