Molecule ID: mol37140

SMILES: O=P(O)(O)C(F)c1ccc(C(F)P(=O)(O)O)cc1

InChI: InChI=1S/C8H10F2O6P2/c9-7(17(11,12)13)5-1-2-6(4-3-5)8(10)18(14,15)16/h1-4,7-8H,(H2,11,12,13)(H2,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.02 QSARToolbox -2 » -3
6.37 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization