Molecule

ID:109152

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₀O₄
Molecular Mass
426.6728
Exact Mass
426.37091008
Charge
0
InChI
InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3
InChIKey
YKGYQYOQRGPFTO-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C)C
Isomeric Smiles
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.4499655
LogD (pH = 7.4)
8.4499655
Log P
8.4499655
Molar Refractivity
125.1316
Polarizability
50.147587
Polar Surface Area
52.6
Rotatable Bonds
23
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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