Molecule

ID:108696

General Information

Structure

MolImage

Molecular Formula

C₁₆H₂₄O₂

Molecular Mass

248.36056

Exact Mass

248.17763001

Charge

0

InChI

InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3

InChIKey

KVIQEJMWUXBBQJ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCC(=O)OCc1ccccc1

Isomeric Smiles

CCCCCCCCC(=O)OCc1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

5.0149693

LogD (pH = 7.4)

5.0149693

Log P

5.0149693

Molar Refractivity

74.2583

Polarizability

29.518803

Polar Surface Area

26.3

Rotatable Bonds

10

Lipinski's Rule of Five

false

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