Molecule ID: mol26228

SMILES: Cn1cnc(O)c2ncc(=O)nc1-2

InChI: InChI=1S/C7H6N4O2/c1-11-3-9-7(13)5-6(11)10-4(12)2-8-5/h2-3,13H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization