Molecule ID: mol25488

SMILES: Nc1ccn(-c2cccc(Cl)c2)n1

InChI: InChI=1S/C9H8ClN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-6H,(H2,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization