Molecule
ID:10721
General Information
Molecular Formula
C₆H₁₀Br₂O₂
Molecular Mass
273.9504
Exact Mass
271.90475356
Charge
0
InChI
InChI=1S/C6H10Br2O2/c1-3-10-5(9)6(2,8)4-7/h3-4H2,1-2H3
InChIKey
ZYTBREBYDYHRRW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CBr)(Br)C
Isomeric Smiles
C(C(C(=O)OCC)(C)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4969027
LogD (pH = 7.4)
2.4969027
Log P
2.4969027
Molar Refractivity
46.6835
Polarizability
18.496603
Polar Surface Area
26.3
Rotatable Bonds
4
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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