Molecule ID: mol19328

SMILES: O=C(CCCO[N+](=O)[O-])Oc1ccccc1C(=O)O

InChI: InChI=1S/C11H11NO7/c13-10(6-3-7-18-12(16)17)19-9-5-2-1-4-8(9)11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.69 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization