Molecule

ID:8941

General Information

Structure

Molecular Formula

C₂HCl₂F

Molecular Mass

114.9337432

Exact Mass

113.94393361

Charge

0

InChI

InChI=1S/C2HCl2F/c3-1-2(4)5/h1H/b2-1-

InChIKey

LWDGFGTYBDRKHU-UPHRSURJSA-N

Canonic Smiles

Cl/C=C(/Cl)\F

Isomeric Smiles

C(=C(\F)/Cl)\Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

1.8907456

LogD (pH = 7.4)

1.8907456

Log P

1.8907456

Molar Refractivity

30.542

Polarizability

7.8894777

Polar Surface Area

0.0

Rotatable Bonds

0

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