Molecule ID: mol30744

SMILES: Cc1nnc(/N=N/c2ccc(O)cc2O)s1

InChI: InChI=1S/C9H8N4O2S/c1-5-10-12-9(16-5)13-11-7-3-2-6(14)4-8(7)15/h2-4,14-15H,1H3/b13-11+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.72 AttenGpKa training set 0 » -1
8.09 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization