Molecule

ID:132750

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₂
Molecular Mass
228.37092
Exact Mass
228.20893014
Charge
0
InChI
InChI=1S/C14H28O2/c1-13(2)11-9-7-5-4-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey
GSRXTORWPQDOOY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCC(C)C
Isomeric Smiles
CC(C)CCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9112215
LogD (pH = 7.4)
4.9112215
Log P
4.9112215
Molar Refractivity
67.9973
Polarizability
27.283884
Polar Surface Area
26.3
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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