Molecule ID: mol8034

SMILES: CC(=O)N1CCNc2nc(N(C)C)nc(N(C)C)c21

InChI: InChI=1S/C12H20N6O/c1-8(19)18-7-6-13-10-9(18)11(16(2)3)15-12(14-10)17(4)5/h6-7H2,1-5H3,(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization