Molecule ID: mol7055

SMILES: Nc1nc(N2CCCC2)cc(N2CCCC2)n1

InChI: InChI=1S/C12H19N5/c13-12-14-10(16-5-1-2-6-16)9-11(15-12)17-7-3-4-8-17/h9H,1-8H2,(H2,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization