Molecule

ID:110392

General Information

Structure

MolImage

Molecular Formula

C₁₄H₂₆O₂

Molecular Mass

226.35504

Exact Mass

226.19328007

Charge

0

InChI

InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h11-12H,3-10,13H2,1-2H3/b12-11+

InChIKey

AMIUTTABDVIFDZ-VAWYXSNFSA-N

Canonic Smiles

CCCCCCCCC/C=C/COC(=O)C

Isomeric Smiles

CCCCCCCCC/C=C/COC(=O)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.5969825

LogD (pH = 7.4)

4.5969825

Log P

4.5969825

Molar Refractivity

69.057

Polarizability

27.045694

Polar Surface Area

26.3

Rotatable Bonds

11

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