Molecule

ID:104469

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₂O₂
Molecular Mass
536.95568
Exact Mass
536.55323154
Charge
0
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
OMQAAHBXTQQRLA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
14.84
LogD (pH = 5.5)
14.84
Log P
14.84
Rotatable Bonds
34
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
76.87
Molar Refractivity
169.34
LOG S
-15.61
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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