Molecule ID: mol29305

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

InChI: InChI=1S/C3H5F2NO2/c4-2(5)1(6)3(7)8/h1-2H,6H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization