Molecule

ID:103892

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₂
Molecular Mass
226.35504
Exact Mass
226.19328007
Charge
0
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3
InChIKey
MFFQOUCMBNXSBK-UHFFFAOYSA-N
Canonic Smiles
CC/C=C/CCCCCCCCOC(=O)C
Isomeric Smiles
CC/C=C/CCCCCCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.441075
LogD (pH = 7.4)
4.441075
Log P
4.441075
Molar Refractivity
69.211
Polarizability
27.045694
Polar Surface Area
26.3
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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