Molecule ID: mol17144

SMILES: Brc1cccc(Br)c1N(CC1CCC1)C1=NCCN1

InChI: InChI=1S/C14H17Br2N3/c15-11-5-2-6-12(16)13(11)19(9-10-3-1-4-10)14-17-7-8-18-14/h2,5-6,10H,1,3-4,7-9H2,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization