Molecule ID: mol38285

SMILES: c1c(C2=NCCN2)cc(C2=NCCN2)cc1C1=NCCN1

InChI: InChI=1S/C15H18N6/c1-2-17-13(16-1)10-7-11(14-18-3-4-19-14)9-12(8-10)15-20-5-6-21-15/h7-9H,1-6H2,(H,16,17)(H,18,19)(H,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.90 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization