Molecule

ID:109095

General Information
Structure
MolImage
Molecular Formula
C₃₄H₆₄O₂
Molecular Mass
504.87076
Exact Mass
504.49063129
Charge
0
InChI
InChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-33H2,1-2H3
InChIKey
MJCPRFASSBVGQD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
13.226494
LogD (pH = 7.4)
13.226494
Log P
13.226494
Molar Refractivity
162.3735
Polarizability
63.732166
Polar Surface Area
26.3
Rotatable Bonds
30
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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