Molecule ID: mol35332

SMILES: Cc1cc(C(c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C22H16N6O12/c1-10-4-13(19(26(35)36)7-16(10)23(29)30)22(14-5-11(2)17(24(31)32)8-20(14)27(37)38)15-6-12(3)18(25(33)34)9-21(15)28(39)40/h4-9,22H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization