Molecule ID: mol26727

SMILES: Nc1cc2nc3cc(N)c(Cl)cc3cc2cc1Cl

InChI: InChI=1S/C13H9Cl2N3/c14-8-2-6-1-7-3-9(15)11(17)5-13(7)18-12(6)4-10(8)16/h1-5H,16-17H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization