Molecule

ID:108588

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
228.37092
Exact Mass
228.20893014
Charge
0
InChI
InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3
InChIKey
CMNMHJVRZHGAAK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)CCCCC
Isomeric Smiles
CCCCCCCCOC(=O)CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.058964
LogD (pH = 7.4)
5.058964
Log P
5.058964
Molar Refractivity
68.1203
Polarizability
27.283884
Polar Surface Area
26.3
Rotatable Bonds
12
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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