Molecule
ID:74489
General Information
Molecular Formula
C₁₁H₁₈O₂
Molecular Mass
182.25942
Exact Mass
182.13067982
Charge
0
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3
InChIKey
SFHSEXGIVSBRRK-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C=C/C(=O)OC
Isomeric Smiles
O=C(/C=C/C=C/CCCCC)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6043
LogD (pH = 7.4)
3.6043
Log P
3.6043
Molar Refractivity
56.4566
Polarizability
21.274233
Polar Surface Area
26.3
Rotatable Bonds
7
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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