Molecule ID: mol26500

SMILES: O=[N+]([O-])c1c(Cl)ccc2[nH]nnc12

InChI: InChI=1S/C6H3ClN4O2/c7-3-1-2-4-5(9-10-8-4)6(3)11(12)13/h1-2H,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization