Molecule ID: mol7134

SMILES: CC(C)n1cccnc1=NCc1ccccc1

InChI: InChI=1S/C14H17N3/c1-12(2)17-10-6-9-15-14(17)16-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization