Molecule ID: mol4713

SMILES: Cc1nc2c(N)nc(=N)n(C)c2nc1C

InChI: InChI=1S/C9H12N6/c1-4-5(2)13-8-6(12-4)7(10)14-9(11)15(8)3/h1-3H3,(H3,10,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization