Molecule ID: mol37494

SMILES: O=[N+]([O-])c1ccc(N=Nc2cc3c(O)c(c2)COCCOCCOCCOC3)c([N+](=O)[O-])c1

InChI: InChI=1S/C20H22N4O9/c25-20-14-9-16(21-22-18-2-1-17(23(26)27)11-19(18)24(28)29)10-15(20)13-33-8-6-31-4-3-30-5-7-32-12-14/h1-2,9-11,25H,3-8,12-13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization