Molecule

ID:133939

General Information
Structure
MolImage
Molecular Formula
C₃₉H₇₆O₂
Molecular Mass
577.01954
Exact Mass
576.58453167
Charge
0
InChI
InChI=1S/C39H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-41-39(40)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23H,3-17,19-22,24-38H2,1-2H3/b23-18-
InChIKey
PRXDWEITEYTFKO-NKFKGCMQSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
15.811259
LogD (pH = 7.4)
15.811259
Log P
15.811259
Molar Refractivity
184.2619
Polarizability
73.198875
Polar Surface Area
26.3
Rotatable Bonds
36
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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