Molecule ID: mol25246

SMILES: Cc1[nH]cnc1F

InChI: InChI=1S/C4H5FN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization