Molecule ID: mol5624

SMILES: O=C(O)c1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.14 QSARToolbox 0 » -1
2.14 QSARToolbox 0 » -1
2.16 QSARToolbox 0 » -1
2.16 QSARToolbox 0 » -1
2.17 IUPAC digitized pKa 0 » -1
2.17 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 QSARToolbox 0 » -1
2.17 QSARToolbox 0 » -1
2.17 QSARToolbox 0 » -1
2.17 QSARToolbox 0 » -1
2.18 OCHEM 0 » -1
2.18 OCHEM 0 » -1
2.19 Baltruschat ChEMBL 0 » -1
2.20 QSARToolbox 0 » -1
2.20 QSARToolbox 0 » -1
2.20 QSARToolbox 0 » -1
2.20 QSARToolbox 0 » -1
2.21 IUPAC digitized pKa 0 » -1
2.21 QSARToolbox 0 » -1
2.23 Datawarrior 0 » -1
2.23 OCHEM 0 » -1
2.24 QSARToolbox 0 » -1
2.24 QSARToolbox 0 » -1
2.30 QSARToolbox 0 » -1
2.30 QSARToolbox 0 » -1
2.34 OCHEM 0 » -1
2.47 QSARToolbox 0 » -1
2.60 IUPAC digitized pKa 0 » -1
2.66 QSARToolbox 0 » -1
2.66 QSARToolbox 0 » -1
2.66 QSARToolbox 0 » -1
3.12 QSARToolbox 0 » -1
3.12 QSARToolbox 0 » -1
3.50 QSARToolbox 0 » -1
3.50 QSARToolbox 0 » -1
3.73 QSARToolbox 0 » -1
3.73 QSARToolbox 0 » -1
4.04 QSARToolbox 0 » -1
4.04 QSARToolbox 0 » -1
4.33 QSARToolbox 0 » -1
4.33 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization