Molecule

ID:75105

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₄O₆
Molecular Mass
404.58116
Exact Mass
404.31378913
Charge
0
InChI
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-22-21-27-18-17-25-14-13-23-11-12-24-15-16-26-19-20-28-22/h22H,2-21H2,1H3
InChIKey
YYGGFNZADNMHNJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC1COCCOCCOCCOCCOCCO1
Isomeric Smiles
O1CCOCCOCCOCCOCC(CCCCCCCCCC)OCC1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.2137938
LogD (pH = 7.4)
4.2137938
Log P
4.2137938
Molar Refractivity
112.0118
Polarizability
44.685726
Polar Surface Area
55.38
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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