Molecule

ID:111094

General Information
Structure
MolImage
Molecular Formula
C₆H₆Br₅Cl
Molecular Mass
513.08484
Exact Mass
507.60748787
Charge
0
InChI
InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChIKey
UZOSVZSBPTTWIG-UHFFFAOYSA-N
Canonic Smiles
BrC1C(Cl)C(Br)C(C(C1Br)Br)Br
Isomeric Smiles
ClC1C(Br)C(Br)C(Br)C(Br)C1Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.273018
LogD (pH = 7.4)
5.273018
Log P
5.273018
Molar Refractivity
68.9985
Polarizability
28.286358
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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