Molecule ID: mol33080

SMILES: O=C(O)C=Cc1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C9H7NO5/c11-8-3-2-7(10(14)15)5-6(8)1-4-9(12)13/h1-5,11H,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.54 QSARToolbox 0 » -1
3.54 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization