Molecule ID: mol25403

SMILES: c1ccc(Oc2nnn[nH]2)cc1

InChI: InChI=1S/C7H6N4O/c1-2-4-6(5-3-1)12-7-8-10-11-9-7/h1-5H,(H,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization