Molecule ID: mol29472

SMILES: CC(=O)NC(Cc1cc(F)c(O)c(F)c1F)C(N)=O

InChI: InChI=1S/C11H11F3N2O3/c1-4(17)16-7(11(15)19)3-5-2-6(12)10(18)9(14)8(5)13/h2,7,18H,3H2,1H3,(H2,15,19)(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization