Molecule ID: mol22402

SMILES: O=C(O)C1CC1(F)c1ccccc1

InChI: InChI=1S/C10H9FO2/c11-10(6-8(10)9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization