Molecule ID: mol25934

SMILES: COc1ccc(-c2nnnn2C)cc1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.98 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization