Molecule

ID:112351

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₀O₃
Molecular Mass
352.5512
Exact Mass
352.29774514
Charge
0
InChI
InChI=1S/C22H40O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h19-20H,3-18H2,1-2H3
InChIKey
XRAJHWOOOMPDFP-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCCCCCCCCCC1CC(=O)OC1=O)C
Isomeric Smiles
CC(C)CCCCCCCCCCCCCCCC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.678793
LogD (pH = 7.4)
7.678793
Log P
7.678793
Molar Refractivity
103.0707
Polarizability
41.3596
Polar Surface Area
43.37
Rotatable Bonds
16
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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