Molecule

ID:109307

General Information

Structure

MolImage

Molecular Formula

C₁₁H₂₂O

Molecular Mass

170.29178

Exact Mass

170.16706532

Charge

0

InChI

InChI=1S/C11H22O/c1-4-5-6-7-8-11(12)9-10(2)3/h10H,4-9H2,1-3H3

InChIKey

QNIWMSRDAQBYHO-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(=O)CC(C)C

Isomeric Smiles

CCCCCCC(=O)CC(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.017214

LogD (pH = 7.4)

4.017214

Log P

4.017214

Molar Refractivity

53.002197

Polarizability

21.078753

Polar Surface Area

17.07

Rotatable Bonds

7

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