Molecule

ID:134019

General Information
Structure
MolImage
Molecular Formula
C₃₆H₆₈O₂
Molecular Mass
532.92392
Exact Mass
532.52193142
Charge
0
InChI
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-
InChIKey
BARWIPMJPCRCTP-CLFAGFIQSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Isomeric Smiles
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
14.12
LogD (pH = 5.5)
14.12
Log P
14.12
Rotatable Bonds
32
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
73.67
Molar Refractivity
171.58
LOG S
-15.12
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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