Molecule

ID:110321

General Information

Structure

Molecular Formula

C₁₃H₂₆O₂

Molecular Mass

214.34434

Exact Mass

214.19328007

Charge

0

InChI

InChI=1S/C13H26O2/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3

InChIKey

QEKCBKVWQYEUGY-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCOC(=O)CCCCC

Isomeric Smiles

CCCCCCCOC(=O)CCCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.614395

LogD (pH = 7.4)

4.614395

Log P

4.614395

Molar Refractivity

63.5193

Polarizability

25.439863

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