Molecule ID: mol6681

SMILES: COC(=O)c1c(NC(=O)N(C)C)ncn1C

InChI: InChI=1S/C9H14N4O3/c1-12(2)9(15)11-7-6(8(14)16-4)13(3)5-10-7/h5H,1-4H3,(H,11,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization