Molecule ID: mol29467

SMILES: CC(=O)NC(Cc1cc(F)c(O)c(F)c1)C(N)=O

InChI: InChI=1S/C11H12F2N2O3/c1-5(16)15-9(11(14)18)4-6-2-7(12)10(17)8(13)3-6/h2-3,9,17H,4H2,1H3,(H2,14,18)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization