Molecule

ID:112608

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Br₆
Molecular Mass
641.69532
Exact Mass
635.65087258
Charge
0
InChI
InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
InChIKey
DEIGXXQKDWULML-UHFFFAOYSA-N
Canonic Smiles
BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br
Isomeric Smiles
BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.19048
LogD (pH = 7.4)
7.19048
Log P
7.19048
Molar Refractivity
100.512
Polarizability
39.83106
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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