Molecule ID: mol10957

SMILES: O=C1CCc2c([N+](=O)[O-])ccc(O)c21

InChI: InChI=1S/C9H7NO4/c11-7-3-1-5-6(10(13)14)2-4-8(12)9(5)7/h2,4,12H,1,3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization