Molecule

ID:108024

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈O₂
Molecular Mass
334.53592
Exact Mass
334.28718046
Charge
0
InChI
InChI=1S/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h8-13H,3-7,14-21H2,1-2H3
InChIKey
FMKHENDQPFGTFP-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OCCCC
Isomeric Smiles
CCCCOC(=O)CCCCCCC/C=C/C=C/C=C/CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.5297484
LogD (pH = 7.4)
7.5297484
Log P
7.5297484
Molar Refractivity
108.2781
Polarizability
41.339706
Polar Surface Area
26.3
Rotatable Bonds
17
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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