Molecule ID: mol4131

SMILES: CCOC(=O)c1nc(Cl)nc(N)c1N

InChI: InChI=1S/C7H9ClN4O2/c1-2-14-6(13)4-3(9)5(10)12-7(8)11-4/h2,9H2,1H3,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization