Molecule ID: SM16

SMILES: O=C(Nc1ccncc1)c1c(Cl)cccc1Cl

InChI: InChI=1S/C12H8Cl2N2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.37 SAMPL6 1 » 0
10.65 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization