Molecule ID: mol36449

SMILES: CN1C(=O)CN/N=C(/c2ccccc2)c2cc(Br)ccc21

InChI: InChI=1S/C16H14BrN3O/c1-20-14-8-7-12(17)9-13(14)16(19-18-10-15(20)21)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3/b19-16-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.80 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization