Molecule ID: mol28055

SMILES: Cc1ccc(F)cc1NC1=NCCN1

InChI: InChI=1S/C10H12FN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization