Molecule ID: mol30309

SMILES: O=C1Nc2ccc(C(=O)c3c(F)cccc3F)cc2O1

InChI: InChI=1S/C14H7F2NO3/c15-8-2-1-3-9(16)12(8)13(18)7-4-5-10-11(6-7)20-14(19)17-10/h1-6H,(H,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization