Molecule
ID:111906
General Information
Molecular Formula
C₁₈H₃₅Br
Molecular Mass
331.3745
Exact Mass
330.19221312
Charge
0
InChI
InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3
InChIKey
RRQWVJIFKFIUJU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCCBr
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.207449
LogD (pH = 7.4)
8.207449
Log P
8.207449
Molar Refractivity
93.7
Polarizability
36.185596
Polar Surface Area
0.0
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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