Molecule ID: mol25486

SMILES: Nc1ccn(-c2ccc(Cl)cc2)n1

InChI: InChI=1S/C9H8ClN3/c10-7-1-3-8(4-2-7)13-6-5-9(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
2.52 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization