Molecule ID: mol35974

SMILES: C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F

InChI: InChI=1S/C9H3F13O4/c1-2(10)5(12,13)26-6(14,8(18,19)20)9(21,22)25-4(11,3(23)24)7(15,16)17/h1H2,(H,23,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.46 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization