Molecule ID: mol26933

SMILES: O=C1CCC(O)=C1NC(=O)C(F)(F)F

InChI: InChI=1S/C7H6F3NO3/c8-7(9,10)6(14)11-5-3(12)1-2-4(5)13/h12H,1-2H2,(H,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization