Molecule

ID:109907

General Information

Structure

MolImage

Molecular Formula

C₁₄H₂₆O₄

Molecular Mass

258.35384

Exact Mass

258.18310931

Charge

0

InChI

InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

InChIKey

XTJFFFGAUHQWII-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)CCCCC(=O)OCCCC

Isomeric Smiles

CCCCOC(=O)CCCCC(=O)OCCCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.4302404

LogD (pH = 7.4)

3.4302404

Log P

3.4302404

Molar Refractivity

70.0244

Polarizability

28.057285

Polar Surface Area

52.6

Rotatable Bonds

13

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