Molecule ID: mol26198

SMILES: Cn1cncc2ncc(=O)nc1-2

InChI: InChI=1S/C7H6N4O/c1-11-4-8-2-5-7(11)10-6(12)3-9-5/h2-4H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization