Molecule
ID:83402
General Information
Molecular Formula
C₁₁H₂₀Br₂
Molecular Mass
312.0845
Exact Mass
309.99317464
Charge
0
InChI
InChI=1S/C11H20Br2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h10H,2-9H2,1H3
InChIKey
QEMWCGYLHICAEI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC1CC1(Br)Br
Isomeric Smiles
BrC1(CC1CCCCCCCC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9423814
LogD (pH = 7.4)
4.9423814
Log P
4.9423814
Molar Refractivity
66.4924
Polarizability
25.736204
Polar Surface Area
0.0
Rotatable Bonds
7
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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