Molecule ID: mol26268

SMILES: CCOC(=O)C1=Nc2nccnc2CN1

InChI: InChI=1S/C9H10N4O2/c1-2-15-9(14)8-12-5-6-7(13-8)11-4-3-10-6/h3-4H,2,5H2,1H3,(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization