Molecule

ID:112689

General Information

Structure

MolImage

Molecular Formula

C₁₄H₃₀O

Molecular Mass

214.3874

Exact Mass

214.22966558

Charge

0

InChI

InChI=1S/C14H30O/c1-4-6-7-8-9-10-11-13-14(3,15)12-5-2/h15H,4-13H2,1-3H3

InChIKey

FOSFLDAPDNOWOV-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCC(CCC)(O)C

Isomeric Smiles

CCCCCCCCCC(C)(O)CCC

Calculated Properties

JChem

Acid pKa

19.34722

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

5.1369767

LogD (pH = 7.4)

5.1369767

Log P

5.1369767

Molar Refractivity

67.9229

Polarizability

27.168322

Polar Surface Area

20.23

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