Molecule ID: mol27032

SMILES: CC1(C)CC(=O)C(NC(=O)C(F)(F)F)=C(O)C1

InChI: InChI=1S/C10H12F3NO3/c1-9(2)3-5(15)7(6(16)4-9)14-8(17)10(11,12)13/h15H,3-4H2,1-2H3,(H,14,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization