Molecule ID: mol25846

SMILES: CC(C)Nc1nc(NC2CC2)nc(ON2C(=O)CCC2=O)n1

InChI: InChI=1S/C13H18N6O3/c1-7(2)14-11-16-12(15-8-3-4-8)18-13(17-11)22-19-9(20)5-6-10(19)21/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization