Molecule ID: mol13298

SMILES: O=C(O)COc1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization