Molecule ID: mol17797

SMILES: O=C(Nc1cc(Cl)ccc1O)OCC(F)(F)F

InChI: InChI=1S/C9H7ClF3NO3/c10-5-1-2-7(15)6(3-5)14-8(16)17-4-9(11,12)13/h1-3,15H,4H2,(H,14,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.40 OCHEM -1 » -2
12.40 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization