Molecule

ID:82139

General Information
Structure
MolImage
Molecular Formula
C₃₅H₆₈O₄
Molecular Mass
552.91202
Exact Mass
552.51176066
Charge
0
InChI
InChI=1S/C35H68O4/c1-5-9-13-17-21-25-29-35(30-26-22-18-14-10-6-2,33(36)38-31-27-23-19-15-11-7-3)34(37)39-32-28-24-20-16-12-8-4/h5-32H2,1-4H3
InChIKey
ZKSQHYUITHUFNF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(=O)OCCCCCCCC)(C(=O)OCCCCCCCC)CCCCCCCC
Isomeric Smiles
O=C(C(C(=O)OCCCCCCCC)(CCCCCCCC)CCCCCCCC)OCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
13.48798
LogD (pH = 7.4)
13.48798
Log P
13.48798
Molar Refractivity
166.5707
Polarizability
66.745476
Polar Surface Area
52.6
Rotatable Bonds
32
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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