Molecule ID: mol17133

SMILES: CC(C)CCN(C1=NCCN1)c1c(Br)cccc1Br

InChI: InChI=1S/C14H19Br2N3/c1-10(2)6-9-19(14-17-7-8-18-14)13-11(15)4-3-5-12(13)16/h3-5,10H,6-9H2,1-2H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization