Molecule ID: mol7296

SMILES: Cc1nc(N)nc(N)c1CC(C)C

InChI: InChI=1S/C9H16N4/c1-5(2)4-7-6(3)12-9(11)13-8(7)10/h5H,4H2,1-3H3,(H4,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization