Molecule

ID:129249

General Information
Structure
Molecular Formula
C₃₆H₅₈O₃
Molecular Mass
538.84392
Exact Mass
538.43859572
Charge
0
InChI
InChI=1S/C36H58O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-34(37)39-35(38)29-31(3)23-20-22-30(2)26-27-33-32(4)24-21-28-36(33,5)6/h20,22-23,26-27,29H,7-19,21,24-25,28H2,1-6H3/b23-20+,27-26+,30-22+,31-29+
InChIKey
SLCSFDSJAUMVCI-UQEJEMEYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OC(=O)/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
Isomeric Smiles
CC1(C)CCCC(=C1/C=C/C(=C/C=C/C(=C/C(=O)OC(=O)CCCCCCCCCCCCCCC)/C)/C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
11.638455
LogD (pH = 7.4)
11.638455
Log P
11.638455
Molar Refractivity
171.669
Polarizability
66.008804
Polar Surface Area
43.37
Rotatable Bonds
21
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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