Molecule ID: mol24416

SMILES: OCC(CO)NCC(O)COc1ccc2ccccc2c1

InChI: InChI=1S/C16H21NO4/c18-9-14(10-19)17-8-15(20)11-21-16-6-5-12-3-1-2-4-13(12)7-16/h1-7,14-15,17-20H,8-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization