Molecule ID: mol17116

SMILES: Brc1cccc(Br)c1N(CC1CCCCC1)C1=NCCN1

InChI: InChI=1S/C16H21Br2N3/c17-13-7-4-8-14(18)15(13)21(16-19-9-10-20-16)11-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.20 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization