Molecule ID: mol10232

SMILES: CNc1nc(=O)n(C)cc1C

InChI: InChI=1S/C7H11N3O/c1-5-4-10(3)7(11)9-6(5)8-2/h4H,1-3H3,(H,8,9,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.57 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization