Molecule ID: mol25009

SMILES: O=S(=O)(O)c1cc(/N=N/c2ccc(C(F)(F)F)cc2)c(O)c2ccccc12

InChI: InChI=1S/C17H11F3N2O4S/c18-17(19,20)10-5-7-11(8-6-10)21-22-14-9-15(27(24,25)26)12-3-1-2-4-13(12)16(14)23/h1-9,23H,(H,24,25,26)/b22-21+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.98 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization