Molecule ID: mol24418

SMILES: OCC(CO)NCC(O)COc1cccc2c1CCCC2

InChI: InChI=1S/C16H25NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h3,5,7,13-14,17-20H,1-2,4,6,8-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization