Molecule

ID:107139

General Information
Structure
MolImage
Molecular Formula
C₃₂H₅₄O₄
Molecular Mass
502.76876
Exact Mass
502.40221021
Charge
0
InChI
InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
InChIKey
PUFGCEQWYLJYNJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
11.7410965
LogD (pH = 7.4)
11.7410965
Log P
11.7410965
Molar Refractivity
151.4718
Polarizability
59.704517
Polar Surface Area
52.6
Rotatable Bonds
26
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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