Molecule

ID:116901

General Information

Structure

MolImage

Molecular Formula

C₅H₈Br₂O

Molecular Mass

243.92442

Exact Mass

241.89418888

Charge

0

InChI

InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2

InChIKey

QOPMHMFIIMJWET-UHFFFAOYSA-N

Canonic Smiles

BrCC1(CBr)COC1

Isomeric Smiles

C1(COC1)(CBr)CBr

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.5032912

LogD (pH = 7.4)

1.5032912

Log P

1.5032912

Molar Refractivity

40.2866

Polarizability

15.833845

Polar Surface Area

9.23

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

No Data Available

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Molecule Details

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References

Bioactivity