Molecule ID: mol24240

SMILES: CN(c1ccc(Br)c(Br)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C13H9Br2N3O4/c1-16(8-2-4-10(14)11(15)6-8)12-5-3-9(17(19)20)7-13(12)18(21)22/h2-7H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-8.17 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization