Molecule

ID:131977

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₂O₂
Molecular Mass
338.56768
Exact Mass
338.31848058
Charge
0
InChI
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
InChIKey
WIBFFTLQMKKBLZ-SEYXRHQNSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
8.25
LogD (pH = 5.5)
8.25
Log P
8.25
Rotatable Bonds
19
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
45.63
Molar Refractivity
106.04
LOG S
-8.79
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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