Molecule ID: mol28092

SMILES: Clc1cccc(Cl)c1N=c1[nH]cc[nH]1

InChI: InChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization