Molecule ID: mol25933

SMILES: COc1ccc(-c2nnn(C)n2)cc1

InChI: InChI=1S/C9H10N4O/c1-13-11-9(10-12-13)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
-2.72 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization