Molecule ID: mol17126

SMILES: Brc1cccc(Br)c1N(C1=NCCN1)C1CCCCC1

InChI: InChI=1S/C15H19Br2N3/c16-12-7-4-8-13(17)14(12)20(15-18-9-10-19-15)11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization