Molecule ID: mol10584

SMILES: COc1cc([N+](=O)[O-])cc(C(=O)O)c1O

InChI: InChI=1S/C8H7NO6/c1-15-6-3-4(9(13)14)2-5(7(6)10)8(11)12/h2-3,10H,1H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.30 QSARToolbox 0 » -1
2.05 AttenGpKa training set 0 » -1
2.58 QSARToolbox 0 » -1
2.58 QSARToolbox 0 » -1
2.58 IUPAC digitized pKa 0 » -1
2.58 OCHEM 0 » -1
10.30 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization