Molecule

ID:6933

General Information
Structure
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Molecular Formula
C₆H₄BrI
Molecular Mass
282.90443
Exact Mass
281.85411013
Charge
0
InChI
InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
OIRHKGBNGGSCGS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1I
Isomeric Smiles
c1ccc(c(c1)I)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.670943
LogD (pH = 7.4)
3.670943
Log P
3.670943
Molar Refractivity
47.0433
Polarizability
18.566034
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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