Molecule ID: mol9851

SMILES: O=[N+]([O-])c1cc(Br)c(O)c([N+](=O)[O-])c1

InChI: InChI=1S/C6H3BrN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.11 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 IUPAC digitized pKa 0 » -1
2.23 OCHEM 0 » -1
2.35 IUPAC digitized pKa 0 » -1
2.35 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization