Molecule ID: mol10576

SMILES: COC(=O)c1ccnc(C(=O)O)c1

InChI: InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization