Molecule ID: mol1457

SMILES: Nc1cccc(C(=O)OC(F)(F)C(F)(F)F)c1

InChI: InChI=1S/C9H6F5NO2/c10-8(11,12)9(13,14)17-7(16)5-2-1-3-6(15)4-5/h1-4H,15H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.24 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization