Molecule

ID:111319

General Information
Structure
MolImage
Molecular Formula
C₄₀H₈₀O₂
Molecular Mass
593.062
Exact Mass
592.6158318
Charge
0
InChI
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey
GAQPWOABOQGPKA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
16.617748
LogD (pH = 7.4)
16.617748
Log P
16.617748
Molar Refractivity
187.7463
Polarizability
75.27893
Polar Surface Area
26.3
Rotatable Bonds
38
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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