Molecule

ID:131449

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₂O₂
Molecular Mass
326.55698
Exact Mass
326.31848058
Charge
0
InChI
InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3
InChIKey
ICVYQLQYVCXJNE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCC(=O)OCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.092991
LogD (pH = 7.4)
8.092991
Log P
8.092991
Molar Refractivity
100.4043
Polarizability
40.19939
Polar Surface Area
26.3
Rotatable Bonds
19
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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