Molecule ID: mol7095

SMILES: CNc1nc(C)nc(NC)c1N

InChI: InChI=1S/C7H13N5/c1-4-11-6(9-2)5(8)7(10-3)12-4/h8H2,1-3H3,(H2,9,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.89 IUPAC digitized pKa 1 » 0
6.92 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization