Molecule ID: mol811

SMILES: O=C(O)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

InChI: InChI=1S/C13HF9O2/c14-4-1(5(15)9(19)3(8(4)18)13(23)24)2-6(16)10(20)12(22)11(21)7(2)17/h(H,23,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.42 IUPAC digitized pKa 0 » -1
1.42 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization