Molecule

ID:110135

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₂O₂

Molecular Mass

198.30188

Exact Mass

198.16197994

Charge

0

InChI

InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3

InChIKey

PIQXMYAEJSMANF-UHFFFAOYSA-N

Canonic Smiles

C=CCCCCCCCCOC(=O)C

Isomeric Smiles

CC(=O)OCCCCCCCCC=C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.6098714

LogD (pH = 7.4)

3.6098714

Log P

3.6098714

Molar Refractivity

58.9365

Polarizability

23.35703

Polar Surface Area

26.3

Rotatable Bonds

10

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