Molecule ID: mol26471

SMILES: Cc1nc2cc(Cl)ccc2n1C

InChI: InChI=1S/C9H9ClN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization