Molecule

ID:70099

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Br₂
Molecular Mass
243.96748
Exact Mass
241.93057438
Charge
0
InChI
InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCBr
Isomeric Smiles
C(CCCCCBr)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.337955
LogD (pH = 7.4)
3.337955
Log P
3.337955
Molar Refractivity
45.3346
Polarizability
17.4491
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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