Molecule ID: mol7046

SMILES: CNc1ncnc(N(C)C)c1N

InChI: InChI=1S/C7H13N5/c1-9-6-5(8)7(12(2)3)11-4-10-6/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
5.30 IUPAC digitized pKa 1 » 0
5.35 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization