Molecule

ID:111760

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈O₄
Molecular Mass
284.39112
Exact Mass
284.19875938
Charge
0
InChI
InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3
InChIKey
QMCVOSQFZZCSLN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)/C=C/C(=O)OCCCCCC
Isomeric Smiles
CCCCCCOC(=O)/C=C/C(=O)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1436133
LogD (pH = 7.4)
5.1436133
Log P
5.1436133
Molar Refractivity
80.2964
Polarizability
31.48928
Polar Surface Area
52.6
Rotatable Bonds
14
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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