Molecule ID: mol25820

SMILES: CCOC(=O)C(=O)NCc1nccnc1N

InChI: InChI=1S/C9H12N4O3/c1-2-16-9(15)8(14)13-5-6-7(10)12-4-3-11-6/h3-4H,2,5H2,1H3,(H2,10,12)(H,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.61 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization