Molecule

ID:84876

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₄
Molecular Mass
240.2955
Exact Mass
240.13615912
Charge
0
InChI
InChI=1S/C13H20O4/c1-3-16-12(14)9-10-5-7-11(8-6-10)13(15)17-4-2/h9,11H,3-8H2,1-2H3/b10-9-
InChIKey
LLSDJLRZFSIZFR-KTKRTIGZSA-N
Canonic Smiles
CCOC(=O)/C=C/1\CCC(CC1)C(=O)OCC
Isomeric Smiles
O=C(C1CC/C(=C\C(=O)OCC)/CC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4944055
LogD (pH = 7.4)
2.4944055
Log P
2.4944055
Molar Refractivity
64.523
Polarizability
25.256077
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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