Molecule ID: mol37438

SMILES: O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)C(F)(F)F

InChI: InChI=1S/C11H10F3NO4/c12-11(13,14)10(19)15-8(9(17)18)5-6-1-3-7(16)4-2-6/h1-4,8,16H,5H2,(H,15,19)(H,17,18)/t8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.37 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization