Molecule ID: mol6181

SMILES: CNCC(O)c1ccc(F)c(F)c1

InChI: InChI=1S/C9H11F2NO/c1-12-5-9(13)6-2-3-7(10)8(11)4-6/h2-4,9,12-13H,5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.23 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization