Molecule ID: mol29458

SMILES: CC(=O)NC(Cc1ccc(O)c(F)c1)C(N)=O

InChI: InChI=1S/C11H13FN2O3/c1-6(15)14-9(11(13)17)5-7-2-3-10(16)8(12)4-7/h2-4,9,16H,5H2,1H3,(H2,13,17)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization