Molecule ID: mol23368

SMILES: O=C(O)C(=O)Nc1ccc(F)cc1

InChI: InChI=1S/C8H6FNO3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,(H,10,11)(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization