Molecule

ID:111314

General Information

Structure

MolImage

Molecular Formula

C₁₃H₂₄O₂

Molecular Mass

212.32846

Exact Mass

212.17763001

Charge

0

InChI

InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h11-12H,3-10H2,1-2H3

InChIKey

XNPQKTROOHAMMU-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCC/C=C/OC(=O)C

Isomeric Smiles

CCCCCCCCC/C=C/OC(=O)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.370407

LogD (pH = 7.4)

4.370407

Log P

4.370407

Molar Refractivity

63.5865

Polarizability

25.201178

Polar Surface Area

26.3

Rotatable Bonds

10

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