Molecule

ID:117047

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Br₂O₂
Molecular Mass
302.00356
Exact Mass
299.93605369
Charge
0
InChI
InChI=1S/C8H14Br2O2/c1-7(2)11-5-8(3-9,4-10)6-12-7/h3-6H2,1-2H3
InChIKey
CEWDAROJZGKUGQ-UHFFFAOYSA-N
Canonic Smiles
BrCC1(CBr)COC(OC1)(C)C
Isomeric Smiles
C1(OCC(CO1)(CBr)CBr)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0440123
LogD (pH = 7.4)
2.0440123
Log P
2.0440123
Molar Refractivity
56.0037
Polarizability
21.928864
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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