Molecule

ID:100528

General Information

Structure

Molecular Formula

C₄H₃Cl₂F₃

Molecular Mass

178.9678296

Exact Mass

177.95639012

Charge

0

InChI

InChI=1S/C4H3Cl2F3/c1-2-3(5,6)4(7,8)9/h2H,1H2

InChIKey

DMYDFQPSUREAIU-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(C(C=C)(Cl)Cl)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.425368

LogD (pH = 7.4)

3.425368

Log P

3.425368

Molar Refractivity

31.0868

Polarizability

11.363514

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

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Molecule Details

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References

Bioactivity