Molecule ID: mol24233

SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCC(Cl)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1

InChI: InChI=1S/C9H7ClN6O10/c10-9(15(23)24,16(25)26)1-2-11-8-6(13(19)20)3-5(12(17)18)4-7(8)14(21)22/h3-4,11H,1-2H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.93 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization