Molecule ID: mol11885

SMILES: CCOC(=O)C(C(=O)OCC)C1NC(=O)Nc2nccnc21

InChI: InChI=1S/C13H16N4O5/c1-3-21-11(18)7(12(19)22-4-2)8-9-10(15-6-5-14-9)17-13(20)16-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.43 IUPAC digitized pKa -1 » -2
11.43 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization