Molecule

ID:8699

General Information

Structure

Molecular Formula

C₃HBr₂F₃

Molecular Mass

253.8432496

Exact Mass

251.83970869

Charge

0

InChI

InChI=1S/C3HBr2F3/c4-1-2(5)3(6,7)8/h1H/b2-1+

InChIKey

DCJYYAUJHDDEAA-OWOJBTEDSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.7412474

LogD (pH = 7.4)

2.7412474

Log P

2.7412474

Molar Refractivity

31.7356

Polarizability

12.180946

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

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Molecule Details

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References

Bioactivity