Molecule

ID:112148

General Information

Structure

MolImage

Molecular Formula

C₂₀H₄₂

Molecular Mass

282.54748

Exact Mass

282.32865134

Charge

0

InChI

InChI=1S/C20H42/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h17-20H,7-16H2,1-6H3

InChIKey

KKFZXXATNGJPJS-UHFFFAOYSA-N

Canonic Smiles

CC(CCCC(C)C)CCCCC(CCCC(C)C)C

Isomeric Smiles

CC(C)CCCC(C)CCCCC(C)CCCC(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

8.724901

LogD (pH = 7.4)

8.724901

Log P

8.724901

Molar Refractivity

93.6126

Polarizability

37.686634

Polar Surface Area

0.0

Rotatable Bonds

13

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