Molecule

ID:98569

General Information

Structure

Molecular Formula

C₄H₃BrF₄

Molecular Mass

206.9642328

Exact Mass

205.93542498

Charge

0

InChI

InChI=1S/C4H3BrF4/c1-2(6)3(5)4(7,8)9/h1H3

InChIKey

DKOFAKWMUSOSRL-UHFFFAOYSA-N

Canonic Smiles

C/C(=C(\C(F)(F)F)/Br)/F

Isomeric Smiles

FC(/C(=C(/F)\C)/Br)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.1875362

LogD (pH = 7.4)

2.1875362

Log P

2.1875362

Molar Refractivity

30.1483

Polarizability

10.686337

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity