Molecule ID: mol25776

SMILES: CC(C)Oc1nc(N)nc(N)n1

InChI: InChI=1S/C6H11N5O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H4,7,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization