Molecule ID: mol9401

SMILES: NC(=O)n1c(O)nc(O)c1CO

InChI: InChI=1S/C5H7N3O4/c6-4(11)8-2(1-9)3(10)7-5(8)12/h9-10H,1H2,(H2,6,11)(H,7,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization