Molecule ID: mol35519

SMILES: N=C1C=CC(=Nc2ccc(Cl)cc2N)C=C1

InChI: InChI=1S/C12H10ClN3/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,14H,15H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.20 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization