Molecule ID: mol8192

SMILES: CCN1c2nc(O)nc(O)c2N=C(C)C1C

InChI: InChI=1S/C10H14N4O2/c1-4-14-6(3)5(2)11-7-8(14)12-10(16)13-9(7)15/h6H,4H2,1-3H3,(H2,12,13,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.90 IUPAC digitized pKa 1 » 0
10.12 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization