Molecule

ID:131759

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆O₂
Molecular Mass
214.34434
Exact Mass
214.19328007
Charge
0
InChI
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
InChIKey
IAFQYUQIAOWKSB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(=O)OCC
Isomeric Smiles
CCCCCCCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5364413
LogD (pH = 7.4)
4.5364413
Log P
4.5364413
Molar Refractivity
63.5963
Polarizability
25.439863
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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