Molecule

ID:100722

General Information

Structure

Molecular Formula

C₇H₁₁Cl₂F

Molecular Mass

185.0666432

Exact Mass

184.02218393

Charge

0

InChI

InChI=1S/C7H11Cl2F/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

KLOGEWQYHVRQNF-UHFFFAOYSA-N

Canonic Smiles

FC(C1CCCCC1)(Cl)Cl

Isomeric Smiles

FC(C1CCCCC1)(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6450987

LogD (pH = 7.4)

3.6450987

Log P

3.6450987

Molar Refractivity

42.6821

Polarizability

16.402597

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity