Molecule ID: mol21781

SMILES: O=C(O)COc1ccc(Cl)c([N+](=O)[O-])c1

InChI: InChI=1S/C8H6ClNO5/c9-6-2-1-5(15-4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization