Molecule ID: mol35242

SMILES: NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccn1

InChI: InChI=1S/C14H12BrN3O2/c15-9-4-5-11(18-13(19)8-16)10(7-9)14(20)12-3-1-2-6-17-12/h1-7H,8,16H2,(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.62 QSARToolbox 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization