Molecule ID: mol23376

SMILES: O=C(O)C#Cc1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C9H5NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.97 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization