Molecule ID: mol30313

SMILES: O=C1ON=C(c2ccccc2)C1C(=O)c1ccc(F)cc1

InChI: InChI=1S/C16H10FNO3/c17-12-8-6-11(7-9-12)15(19)13-14(18-21-16(13)20)10-4-2-1-3-5-10/h1-9,13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization