Molecule

ID:111710

General Information

Structure

MolImage

Molecular Formula

C₁₃H₂₀O₄

Molecular Mass

240.2955

Exact Mass

240.13615912

Charge

0

InChI

InChI=1S/C13H20O4/c1-3-10-16-12(14)8-6-5-7-9-13(15)17-11-4-2/h3-4H,1-2,5-11H2

InChIKey

SQBBIIARQXLCHP-UHFFFAOYSA-N

Canonic Smiles

C=CCOC(=O)CCCCCC(=O)OCC=C

Isomeric Smiles

C=CCOC(=O)CCCCCC(=O)OCC=C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.6895108

LogD (pH = 7.4)

2.6895108

Log P

2.6895108

Molar Refractivity

65.2036

Polarizability

25.730791

Polar Surface Area

52.6

Rotatable Bonds

12

Lipinski's Rule of Five

true

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