Molecule ID: mol24412

SMILES: CC(C)NCC(O)COc1cccc2c1CCCC2

InChI: InChI=1S/C16H25NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization