Molecule

ID:85291

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Br₄
Molecular Mass
451.81828
Exact Mass
447.76724838
Charge
0
InChI
InChI=1S/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
InChIKey
CBZFVWOOXISXFJ-UHFFFAOYSA-N
Canonic Smiles
BrC1(Br)C2C1CCC1C(CC2)C1(Br)Br
Isomeric Smiles
BrC1(C2C1CCC1C(C1CC2)(Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0235906
LogD (pH = 7.4)
4.0235906
Log P
4.0235906
Molar Refractivity
73.7992
Polarizability
28.7617
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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