Molecule ID: mol25477

SMILES: COc1ccc(-n2nnnc2C)cc1

InChI: InChI=1S/C9H10N4O/c1-7-10-11-12-13(7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.19 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization