Molecule ID: mol25833

SMILES: Nc1ncc(/N=N/c2ccc(Cl)cc2)c(N)n1

InChI: InChI=1S/C10H9ClN6/c11-6-1-3-7(4-2-6)16-17-8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)/b17-16+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.93 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization