Molecule ID: mol26323

SMILES: CNc1ncc2nc(-c3ccccc3)c(=O)n(C)c2n1

InChI: InChI=1S/C14H13N5O/c1-15-14-16-8-10-12(18-14)19(2)13(20)11(17-10)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization