Molecule

ID:84079

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Br₂O₄
Molecular Mass
366.0027
Exact Mass
363.8945828
Charge
0
InChI
InChI=1S/C11H10Br2O4/c1-2-16-10(15)6-17-11-8(12)3-7(5-14)4-9(11)13/h3-5H,2,6H2,1H3
InChIKey
CNUPDZSQOBIKGV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1c(Br)cc(cc1Br)C=O
Isomeric Smiles
O(c1c(cc(cc1Br)C=O)Br)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0462675
LogD (pH = 7.4)
3.0462675
Log P
3.0462675
Molar Refractivity
69.9531
Polarizability
27.075026
Polar Surface Area
52.6
Rotatable Bonds
6
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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