Molecule

ID:108893

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₂
Molecular Mass
226.35504
Exact Mass
226.19328007
Charge
0
InChI
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
InChIKey
GTBGXKPAKVYEKJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOC(=O)C(=C)C
Isomeric Smiles
CCCCCCCCCCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.299036
LogD (pH = 7.4)
5.299036
Log P
5.299036
Molar Refractivity
67.8972
Polarizability
27.045694
Polar Surface Area
26.3
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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