Molecule ID: mol25521

SMILES: NCc1nc(-c2ccc(Cl)cc2)no1

InChI: InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)9-12-8(5-11)14-13-9/h1-4H,5,11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization