Molecule
ID:73695
General Information
Molecular Formula
C₁₀H₁₇BrO₂
Molecular Mass
249.14478
Exact Mass
248.04119178
Charge
0
InChI
InChI=1S/C10H17BrO2/c1-3-13-10(12)8-6-4-5-7-9(2)11/h2-8H2,1H3
InChIKey
FGGNYJVCOLRHDJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.144311
LogD (pH = 7.4)
3.144311
Log P
3.144311
Molar Refractivity
57.5256
Polarizability
22.401814
Polar Surface Area
26.3
Rotatable Bonds
8
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
No Data Available
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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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