Molecule

ID:109551

General Information

Structure

MolImage

Molecular Formula

C₁₄H₂₆O₃

Molecular Mass

242.35444

Exact Mass

242.18819469

Charge

0

InChI

InChI=1S/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

DAPZDAPTZFJZTO-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(=O)OC(=O)CCCCCC

Isomeric Smiles

CCCCCCC(=O)OC(=O)CCCCCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

4.6451015

LogD (pH = 7.4)

4.6451015

Log P

4.6451015

Molar Refractivity

68.1438

Polarizability

27.351429

Polar Surface Area

43.37

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