Molecule

ID:112859

General Information

Structure

Molecular Formula

C₁₁H₂₀

Molecular Mass

152.2765

Exact Mass

152.15650064

Charge

0

InChI

InChI=1S/C11H20/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10-11H,1-9H2

InChIKey

WVABZRMBCQFXBK-UHFFFAOYSA-N

Canonic Smiles

C1CCC(CC1)C1CCCC1

Isomeric Smiles

C1CCC(CC1)C1CCCC1

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.11143

LogD (pH = 7.4)

4.11143

Log P

4.11143

Molar Refractivity

48.704

Polarizability

19.57322

Polar Surface Area

0.0

Rotatable Bonds

1

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