Molecule ID: mol7045

SMILES: CNc1nc(N(C)C)ncc1N

InChI: InChI=1S/C7H13N5/c1-9-6-5(8)4-10-7(11-6)12(2)3/h4H,8H2,1-3H3,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization