Molecule ID: mol17119

SMILES: Brc1cccc(Br)c1N(CC1CC1)C1=NCCCN1

InChI: InChI=1S/C14H17Br2N3/c15-11-3-1-4-12(16)13(11)19(9-10-5-6-10)14-17-7-2-8-18-14/h1,3-4,10H,2,5-9H2,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization