Molecule

ID:10769

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈Br₂
Molecular Mass
404.22292
Exact Mass
402.0557749
Charge
0
InChI
InChI=1S/C18H28Br2/c1-3-5-7-9-11-15-13-18(20)16(14-17(15)19)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
PDYWYSUEPGNSRY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1cc(Br)c(cc1Br)CCCCCC
Isomeric Smiles
c1(c(cc(c(c1)Br)CCCCCC)Br)CCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.98328
LogD (pH = 7.4)
8.98328
Log P
8.98328
Molar Refractivity
97.396
Polarizability
37.709965
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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