Molecule ID: mol20849

SMILES: NC1=NCc2cc(O)c(O)cc2N1

InChI: InChI=1S/C8H9N3O2/c9-8-10-3-4-1-6(12)7(13)2-5(4)11-8/h1-2,12-13H,3H2,(H3,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.00 OCHEM -1 » -2
12.00 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization