Molecule ID: mol7344

SMILES: COc1ccc(-c2cnc(=N)n(C)c2)cc1

InChI: InChI=1S/C12H13N3O/c1-15-8-10(7-14-12(15)13)9-3-5-11(16-2)6-4-9/h3-8,13H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.88 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization