Molecule ID: mol7112

SMILES: Cn1cc(-c2ccc(N)cc2)cnc1=N

InChI: InChI=1S/C11H12N4/c1-15-7-9(6-14-11(15)13)8-2-4-10(12)5-3-8/h2-7,13H,12H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.41 IUPAC digitized pKa 2 » 1
10.97 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization