Molecule ID: mol7886

SMILES: OC1NC=Nc2cccc(C(F)(F)F)c21

InChI: InChI=1S/C9H7F3N2O/c10-9(11,12)5-2-1-3-6-7(5)8(15)14-4-13-6/h1-4,8,15H,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization