Molecule ID: mol30319

SMILES: O=C1Nc2cc(Cl)c(C(=O)c3ccccc3F)cc2O1

InChI: InChI=1S/C14H7ClFNO3/c15-9-6-11-12(20-14(19)17-11)5-8(9)13(18)7-3-1-2-4-10(7)16/h1-6H,(H,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization