Molecule ID: mol30316

SMILES: C[C@@H]1N[C@@H](C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@@H]1O

InChI: InChI=1S/C8H10F7NO2/c1-2-3(17)4(18)5(16-2)6(9,10)7(11,12)8(13,14)15/h2-5,16-18H,1H3/t2-,3+,4+,5+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization