Molecule ID: mol37563

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/N=C/c2ccc(O)cc2)cc1

InChI: InChI=1S/C20H13N3O7/c24-17-8-1-13(2-9-17)12-21-15-5-3-14(4-6-15)20(25)30-19-10-7-16(22(26)27)11-18(19)23(28)29/h1-12,24H/b21-12+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization