Molecule

ID:79672

General Information

Structure

Molecular Formula

C₉H₁₆

Molecular Mass

124.22334

Exact Mass

124.12520051

Charge

0

InChI

InChI=1S/C9H16/c1-2-8-4-6-9(3-1)7-5-8/h8-9H,1-7H2

InChIKey

GNTFBMAGLFYMMZ-UHFFFAOYSA-N

Canonic Smiles

C1CC2CCC(C1)CC2

Isomeric Smiles

C1CC2CCCC1CC2

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.222293

LogD (pH = 7.4)

3.222293

Log P

3.222293

Molar Refractivity

39.502

Polarizability

15.879366

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity