Molecule ID: mol26263

SMILES: CNc1ncnc2c1nc(C)c(=O)n2C

InChI: InChI=1S/C9H11N5O/c1-5-9(15)14(3)8-6(13-5)7(10-2)11-4-12-8/h4H,1-3H3,(H,10,11,12)

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