Molecule ID: mol26047

SMILES: Cc1ccc(-n2nnnc2-c2nnnn2-c2ccc(C)cc2)cc1

InChI: InChI=1S/C16H14N8/c1-11-3-7-13(8-4-11)23-15(17-19-21-23)16-18-20-22-24(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.32 AttenGpKa training set 4 » 3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization