Molecule ID: mol7867

SMILES: Nc1nc(N)c2c(Cl)ccc(Cl)c2n1

InChI: InChI=1S/C8H6Cl2N4/c9-3-1-2-4(10)6-5(3)7(11)14-8(12)13-6/h1-2H,(H4,11,12,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.07 IUPAC digitized pKa 1 » 0
6.07 OCHEM 1 » 0
6.07 AttenGpKa training set 1 » 0
6.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization