Molecule ID: mol915

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

InChI: InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 QSARToolbox 0 » -1
2.82 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 Hunt 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 OCHEM 0 » -1
2.82 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization