Molecule ID: mol25812

SMILES: CNc1ncc(C(=O)O)nc1N(C)C=O

InChI: InChI=1S/C8H10N4O3/c1-9-6-7(12(2)4-13)11-5(3-10-6)8(14)15/h3-4H,1-2H3,(H,9,10)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization