Molecule

ID:131075

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₀O₂
Molecular Mass
324.5411
Exact Mass
324.30283052
Charge
0
InChI
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-9H,3-7,10-20H2,1-2H3/b9-8-
InChIKey
XQXARCJTXXEQEX-HJWRWDBZSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCCCCC(=O)OC
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.81883
LogD (pH = 7.4)
7.81883
Log P
7.81883
Molar Refractivity
101.3733
Polarizability
39.96352
Polar Surface Area
26.3
Rotatable Bonds
18
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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