Molecule ID: mol36462

SMILES: CC(=O)NC1=NC(=O)CN1C

InChI: InChI=1S/C6H9N3O2/c1-4(10)7-6-8-5(11)3-9(6)2/h3H2,1-2H3,(H,7,8,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.51 QSARToolbox 1 » 0
8.35 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization