Molecule ID: mol24419

SMILES: CC(C)NCC(O)COc1cc2ccccc2c2ccccc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization