Molecule ID: mol28331

SMILES: O=C(Nn1cnnc1)c1ccco1

InChI: InChI=1S/C7H6N4O2/c12-7(6-2-1-3-13-6)10-11-4-8-9-5-11/h1-5H,(H,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization