Molecule ID: mol26264

SMILES: CNc1ncc2nc(C)c(=O)n(C)c2n1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization