Molecule ID: mol26395

SMILES: Fc1cc(F)c2[nH]cnc2c1

InChI: InChI=1S/C7H4F2N2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization