Molecule ID: mol29323

SMILES: C=C(F)CC(C)(N)C(=O)O

InChI: InChI=1S/C6H10FNO2/c1-4(7)3-6(2,8)5(9)10/h1,3,8H2,2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization