Molecule ID: mol4806

SMILES: CCOC(=O)c1nc(OCC)nc2c1N=C(O)CN2

InChI: InChI=1S/C11H14N4O4/c1-3-18-10(17)8-7-9(12-5-6(16)13-7)15-11(14-8)19-4-2/h3-5H2,1-2H3,(H,13,16)(H,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization