Molecule ID: mol24069

SMILES: Nc1ccccc1C(O)(C(F)(F)F)C(F)(F)F

InChI: InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,17H,16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization