Molecule

ID:7841

General Information

Structure

MolImage

Molecular Formula

C₃H₃Cl₃F₂

Molecular Mass

183.4117264

Exact Mass

181.92683958

Charge

0

InChI

InChI=1S/C3H3Cl3F2/c4-2(5)1-3(6,7)8/h2H,1H2

InChIKey

LAKXDZKIXFNBES-UHFFFAOYSA-N

Canonic Smiles

ClC(CC(Cl)(F)F)Cl

Isomeric Smiles

C(CC(Cl)(F)F)(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.4860609

LogD (pH = 7.4)

2.4860609

Log P

2.4860609

Molar Refractivity

31.1031

Polarizability

11.857591

Polar Surface Area

0.0

Rotatable Bonds

2

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