Molecule

ID:97582

General Information

Structure

Molecular Formula

C₇H₁₂Br₂F₂

Molecular Mass

293.9749864

Exact Mass

291.92738082

Charge

0

InChI

InChI=1S/C7H12Br2F2/c1-2-3-4-6(8)5-7(9,10)11/h6H,2-5H2,1H3

InChIKey

LELCBNDIIJODHG-UHFFFAOYSA-N

Canonic Smiles

CCCCC(CC(Br)(F)F)Br

Isomeric Smiles

BrC(CC(F)(F)Br)CCCC

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.9577746

LogD (pH = 7.4)

3.9577746

Log P

3.9577746

Molar Refractivity

49.9858

Polarizability

19.195755

Polar Surface Area

0.0

Rotatable Bonds

5

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