Molecule ID: mol34008

SMILES: O=c1[nH]c(=O)c2[nH]c(=O)[nH]c(=O)c2[nH]1

InChI: InChI=1S/C6H4N4O4/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1/h(H2,7,10,12,13)(H2,8,9,11,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.92 QSARToolbox -1 » -2
9.85 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization