Molecule ID: mol29391

SMILES: NC(C(=O)O)C(F)(F)c1c(F)c(F)c(F)c(F)c1F

InChI: InChI=1S/C9H4F7NO2/c10-2-1(9(15,16)7(17)8(18)19)3(11)5(13)6(14)4(2)12/h7H,17H2,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization