Molecule
ID:80019
General Information
Molecular Formula
C₁₀H₁₆Br₂O₄
Molecular Mass
360.03964
Exact Mass
357.94153299
Charge
0
InChI
InChI=1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3
InChIKey
UBCNJHBDCUBIPB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(CCC(C(=O)OCC)Br)Br
Isomeric Smiles
O=C(C(CCC(C(=O)OCC)Br)Br)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8341007
LogD (pH = 7.4)
2.8341007
Log P
2.8341007
Molar Refractivity
66.8278
Polarizability
26.605337
Polar Surface Area
52.6
Rotatable Bonds
9
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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