Molecule

ID:112128

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Br₄
Molecular Mass
401.7596
Exact Mass
397.75159832
Charge
0
InChI
InChI=1S/C6H10Br4/c7-3-5(9)1-2-6(10)4-8/h5-6H,1-4H2
InChIKey
WPBWUVCMCYXPFI-UHFFFAOYSA-N
Canonic Smiles
BrCC(CCC(CBr)Br)Br
Isomeric Smiles
BrCC(Br)CCC(Br)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.268322
LogD (pH = 7.4)
4.268322
Log P
4.268322
Molar Refractivity
60.1266
Polarizability
23.731781
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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