Molecule ID: mol7157

SMILES: CNc1nc(N(C)C)ncc1Br

InChI: InChI=1S/C7H11BrN4/c1-9-6-5(8)4-10-7(11-6)12(2)3/h4H,1-3H3,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization