Molecule ID: mol25440

SMILES: Cc1ccc(-n2nnnc2C)cc1

InChI: InChI=1S/C9H10N4/c1-7-3-5-9(6-4-7)13-8(2)10-11-12-13/h3-6H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.11 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization