Molecule ID: mol11613

SMILES: CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nn[nH]c21

InChI: InChI=1S/C11H15N5O5/c1-3-20-9(17)5(10(18)21-4-2)6-7-8(15-16-14-7)13-11(19)12-6/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.66 IUPAC digitized pKa 2 » 1
7.73 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization