Molecule ID: mol25810

SMILES: Nc1nc(O)nc(Nc2ccccc2)n1

InChI: InChI=1S/C9H9N5O/c10-7-12-8(14-9(15)13-7)11-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization