Molecule
ID:80339
General Information
Molecular Formula
C₁₀H₂Br₆
Molecular Mass
601.54688
Exact Mass
595.52567206
Charge
0
InChI
InChI=1S/C10H2Br6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H
InChIKey
GTFBYYPAXJKCMP-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2c(cc1Br)c(Br)c(c(c2Br)Br)Br
Isomeric Smiles
Brc1c(c(c2c(c1Br)cc(c(c2)Br)Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.575238
LogD (pH = 7.4)
7.575238
Log P
7.575238
Molar Refractivity
88.245
Polarizability
35.982155
Polar Surface Area
0.0
Rotatable Bonds
0
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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