Molecule ID: mol24415

SMILES: OCC(CO)NCC(O)COc1cccc2ccccc12

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

Experimental Macro pKa Values

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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