Molecule

ID:111068

General Information

Structure

MolImage

Molecular Formula

C₁₅H₃₀O₃

Molecular Mass

258.3969

Exact Mass

258.21949482

Charge

0

InChI

InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3

InChIKey

BHIZVZJETFVJMJ-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCC(=O)OCC(O)C

Isomeric Smiles

CCCCCCCCCCCC(=O)OCC(C)O

Calculated Properties

JChem

Acid pKa

14.828978

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

4.350675

LogD (pH = 7.4)

4.350675

Log P

4.350675

Molar Refractivity

74.1598

Polarizability

29.738844

Polar Surface Area

46.53

Rotatable Bonds

13

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