Molecule ID: mol25489

SMILES: Nc1cnn(-c2cccc(Cl)c2)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization