Molecule

ID:94584

General Information

Structure

MolImage

Molecular Formula

C₄ClF₅

Molecular Mass

178.487816

Exact Mass

177.96086878

Charge

0

InChI

InChI=1S/C4ClF5/c5-1(3(7)8)2(6)4(9)10

InChIKey

ZQZMAJGEFXFVCR-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.0045078

LogD (pH = 7.4)

2.0045078

Log P

2.0045078

Molar Refractivity

47.3976

Polarizability

9.283059

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