Molecule ID: mol4121

SMILES: CNc1ccnc(Cl)n1

InChI: InChI=1S/C5H6ClN3/c1-7-4-2-3-8-5(6)9-4/h2-3H,1H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization