Molecule ID: mol17135

SMILES: C=C(C)CN(C1=NCCN1)c1c(Br)cccc1Br

InChI: InChI=1S/C13H15Br2N3/c1-9(2)8-18(13-16-6-7-17-13)12-10(14)4-3-5-11(12)15/h3-5H,1,6-8H2,2H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization