Molecule ID: mol35341

SMILES: Cc1cc(C)c(C(F)(F)P(=O)(O)O)cc1C(F)(F)P(=O)(O)O

InChI: InChI=1S/C10H12F4O6P2/c1-5-3-6(2)8(10(13,14)22(18,19)20)4-7(5)9(11,12)21(15,16)17/h3-4H,1-2H3,(H2,15,16,17)(H2,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization