Molecule ID: mol31724

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

InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization