Molecule

ID:112256

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₄O

Molecular Mass

172.30766

Exact Mass

172.18271539

Charge

0

InChI

InChI=1S/C11H24O/c1-3-5-6-7-8-10-11(12)9-4-2/h11-12H,3-10H2,1-2H3

InChIKey

FNORHVDKJWGANC-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCC(CCC)O

Isomeric Smiles

CCCCCCCC(O)CCC

Calculated Properties

JChem

Acid pKa

18.516277

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

3.9672627

LogD (pH = 7.4)

3.9672627

Log P

3.9672627

Molar Refractivity

54.0827

Polarizability

21.629404

Polar Surface Area

20.23

Rotatable Bonds

8

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