Molecule

ID:83403

General Information
Structure
Molecular Formula
C₈H₁₄Br₂
Molecular Mass
270.00476
Exact Mass
267.94622445
Charge
0
InChI
InChI=1S/C8H14Br2/c1-3-4-5-7-6(2)8(7,9)10/h6-7H,3-5H2,1-2H3
InChIKey
VVXFDFGQTPWSOD-UHFFFAOYSA-N
Canonic Smiles
CCCCC1C(C1(Br)Br)C
Isomeric Smiles
BrC1(C(C1CCCC)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7429473
LogD (pH = 7.4)
3.7429473
Log P
3.7429473
Molar Refractivity
52.5048
Polarizability
20.352047
Polar Surface Area
0.0
Rotatable Bonds
3
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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