Molecule ID: mol20368

SMILES: C[C@H](c1ccccc1)N(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)cc1

InChI: InChI=1S/C17H17F2NO5S/c1-12(13-5-3-2-4-6-13)20(11-16(21)22)26(23,24)15-9-7-14(8-10-15)25-17(18)19/h2-10,12,17H,11H2,1H3,(H,21,22)/t12-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.40 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization