Molecule

ID:110467

General Information

Structure

MolImage

Molecular Formula

C₂₁H₄₂O

Molecular Mass

310.55758

Exact Mass

310.32356596

Charge

0

InChI

InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

DOACSXJVHDTDSG-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCC(=O)CCCCCCCCCC

Isomeric Smiles

CCCCCCCCCCC(=O)CCCCCCCCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

8.62045

LogD (pH = 7.4)

8.62045

Log P

8.62045

Molar Refractivity

99.0646

Polarizability

39.542976

Polar Surface Area

17.07

Rotatable Bonds

18

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