Molecule
ID:83401
General Information
Molecular Formula
C₉H₁₆Br₂
Molecular Mass
284.03134
Exact Mass
281.96187451
Charge
0
InChI
InChI=1S/C9H16Br2/c1-2-3-4-5-6-8-7-9(8,10)11/h8H,2-7H2,1H3
InChIKey
WPTBDWWKCWNJPL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC1CC1(Br)Br
Isomeric Smiles
BrC1(CC1CCCCCC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.101903
LogD (pH = 7.4)
4.101903
Log P
4.101903
Molar Refractivity
57.2904
Polarizability
22.140617
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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