Molecule

ID:134237

General Information
Structure
MolImage
Molecular Formula
C₄₄H₈₂O₃
Molecular Mass
659.12008
Exact Mass
658.62639648
Charge
0
InChI
InChI=1S/C44H82O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)47-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-42H2,1-2H3/b19-17-,20-18-
InChIKey
LVWSCSGKAPKSBZ-CLFAGFIQSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
17.258318
LogD (pH = 7.4)
17.258318
Log P
17.258318
Molar Refractivity
208.407
Polarizability
82.222534
Polar Surface Area
43.37
Rotatable Bonds
40
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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