Molecule ID: mol36128

SMILES: O=C(O)CN(CC(=O)O)Cc1cc(F)ccc1O

InChI: InChI=1S/C11H12FNO5/c12-8-1-2-9(14)7(3-8)4-13(5-10(15)16)6-11(17)18/h1-3,14H,4-6H2,(H,15,16)(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.30 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization