Molecule ID: mol22243

SMILES: O=C(O)C12CC(F)(C1)C2

InChI: InChI=1S/C6H7FO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization