Molecule

ID:111758

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₀O₄
Molecular Mass
356.5399
Exact Mass
356.29265976
Charge
0
InChI
InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
InChIKey
MJOKHGMXPJXFTG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC
Isomeric Smiles
CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.542221
LogD (pH = 7.4)
6.542221
Log P
6.542221
Molar Refractivity
102.2314
Polarizability
40.93455
Polar Surface Area
52.6
Rotatable Bonds
20
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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