Molecule

ID:80343

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄Br₆
Molecular Mass
627.58416
Exact Mass
621.54132213
Charge
0
InChI
InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
InChIKey
UXOOFXUEODCAIP-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1Br)Br)c1cc(Br)c(c(c1)Br)Br
Isomeric Smiles
Brc1c(cc(cc1Br)c1cc(c(c(c1)Br)Br)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.232987
LogD (pH = 7.4)
8.232987
Log P
8.232987
Molar Refractivity
96.931
Polarizability
39.202946
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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