Molecule ID: mol17112

SMILES: Brc1cccc(Br)c1N(Cc1ccco1)C1=NCCN1

InChI: InChI=1S/C14H13Br2N3O/c15-11-4-1-5-12(16)13(11)19(14-17-6-7-18-14)9-10-3-2-8-20-10/h1-5,8H,6-7,9H2,(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization