Molecule ID: mol20128

SMILES: NC(CCC(=O)O)C(F)=C(F)F

InChI: InChI=1S/C6H8F3NO2/c7-5(6(8)9)3(10)1-2-4(11)12/h3H,1-2,10H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization