Molecule ID: mol4560

SMILES: Nc1cc2cc(Cl)ccc2nn1

InChI: InChI=1S/C8H6ClN3/c9-6-1-2-7-5(3-6)4-8(10)12-11-7/h1-4H,(H2,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization