Molecule ID: mol10994

SMILES: Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O

InChI: InChI=1S/C9H9NO5/c1-4-3-6(10(14)15)5(2)7(8(4)11)9(12)13/h3,11H,1-2H3,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.78 QSARToolbox 0 » -1
2.78 QSARToolbox 0 » -1
2.78 IUPAC digitized pKa 0 » -1
2.78 OCHEM 0 » -1
8.54 QSARToolbox -1 » -2
8.54 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization