Molecule
ID:120461
General Information
Molecular Formula
C₆H₈Br₂
Molecular Mass
239.93572
Exact Mass
237.89927426
Charge
0
InChI
InChI=1S/C6H8Br2/c7-6(8)4-5(6)2-1-3-5/h1-4H2
InChIKey
RBGBBKXQFGLLBJ-UHFFFAOYSA-N
Canonic Smiles
BrC1(Br)CC21CCC2
Isomeric Smiles
C1(C2(C1)CCC2)(Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4852872
LogD (pH = 7.4)
2.4852872
Log P
2.4852872
Molar Refractivity
41.4271
Polarizability
16.134302
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
No Data Available
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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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