Molecule ID: mol37574

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(Cl)c1

InChI: InChI=1S/C13H7ClN2O7/c14-9-5-7(1-3-11(9)17)13(18)23-12-4-2-8(15(19)20)6-10(12)16(21)22/h1-6,17H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.07 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization