Molecule ID: mol17118

SMILES: Brc1cccc(Br)c1N(C1=NCCN1)C1CCCC1

InChI: InChI=1S/C14H17Br2N3/c15-11-6-3-7-12(16)13(11)19(10-4-1-2-5-10)14-17-8-9-18-14/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)

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