Molecule
ID:74840
General Information
Molecular Formula
C₆H₈Br₂O₂
Molecular Mass
271.93452
Exact Mass
269.8891035
Charge
0
InChI
InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2
InChIKey
MUKJDVAYJDKPAG-UHFFFAOYSA-N
Canonic Smiles
BrC(CBr)COC(=O)C=C
Isomeric Smiles
O=C(C=C)OCC(CBr)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.671912
LogD (pH = 7.4)
2.671912
Log P
2.671912
Molar Refractivity
46.3843
Polarizability
18.232418
Polar Surface Area
26.3
Rotatable Bonds
5
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
No Data Available
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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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