Molecule ID: mol4561

SMILES: Nc1cc2ccc(Cl)cc2nn1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization