Molecule ID: mol6438

SMILES: CNc1ncc(Cl)cc1Cl

InChI: InChI=1S/C6H6Cl2N2/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization