Molecule ID: mol3236

SMILES: CNCC(F)(F)C(F)(F)C(F)(F)CNC

InChI: InChI=1S/C7H12F6N2/c1-14-3-5(8,9)7(12,13)6(10,11)4-15-2/h14-15H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.70 IUPAC digitized pKa 1 » 0
6.82 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization