Molecule

ID:111315

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₀O₃
Molecular Mass
550.9392
Exact Mass
550.5324961
Charge
0
InChI
InChI=1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
WVJVHUWVQNLPCR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
14.425612
LogD (pH = 7.4)
14.425612
Log P
14.425612
Molar Refractivity
169.3658
Polarizability
67.92365
Polar Surface Area
43.37
Rotatable Bonds
34
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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