Molecule ID: mol27778

SMILES: CCOC(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F

InChI: InChI=1S/C11H6F5NO2/c1-2-19-11(18)4(3-17)5-6(12)8(14)10(16)9(15)7(5)13/h4H,2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.89 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization