Molecule
ID:111788
General Information
Molecular Formula
C₁₆H₃₂Br₂
Molecular Mass
384.23328
Exact Mass
382.08707502
Charge
0
InChI
InChI=1S/C16H32Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-16H2
InChIKey
OTFBUFWEFKVFFR-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCCCCCCCBr
Isomeric Smiles
BrCCCCCCCCCCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.7836413
LogD (pH = 7.4)
7.7836413
Log P
7.7836413
Molar Refractivity
91.3446
Polarizability
35.48053
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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