Molecule ID: mol31424

SMILES: O=C(O)c1ccccc1C(=O)NO

InChI: InChI=1S/C8H7NO4/c10-7(9-13)5-3-1-2-4-6(5)8(11)12/h1-4,13H,(H,9,10)(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.10 QSARToolbox -1 » -2
9.40 QSARToolbox -1 » -2
9.40 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization