Molecule ID: mol7626

SMILES: Nc1nc(N)nc(Oc2ccccc2)n1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 IUPAC digitized pKa 1 » 0
2.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization