Molecule

ID:81530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Br₂O₄
Molecular Mass
358.02376
Exact Mass
355.92588293
Charge
0
InChI
InChI=1S/C10H14Br2O4/c1-15-7(13)9(11)3-5-10(12,6-4-9)8(14)16-2/h3-6H2,1-2H3/t9-,10+
InChIKey
VLXDXFLLOMQLFL-AOOOYVTPSA-N
Canonic Smiles
COC(=O)[C@]1(Br)CC[C@](CC1)(Br)C(=O)OC
Isomeric Smiles
O=C([C@]1(CC[C@](CC1)(C(=O)OC)Br)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.678198
LogD (pH = 7.4)
2.678198
Log P
2.678198
Molar Refractivity
64.801
Polarizability
25.937645
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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