Molecule ID: mol8126

SMILES: CC(C)Oc1nc(N)nc2nc(N)c(C#N)nc12

InChI: InChI=1S/C10H11N7O/c1-4(2)18-9-6-8(16-10(13)17-9)15-7(12)5(3-11)14-6/h4H,1-2H3,(H4,12,13,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization