Molecule

ID:100760

General Information

Structure

MolImage

Molecular Formula

C₂H₄BrF₅S

Molecular Mass

235.014176

Exact Mass

233.91372423

Charge

0

InChI

InChI=1S/C2H4BrF5S/c3-1-2-9(4,5,6,7)8/h1-2H2

InChIKey

JVXOYDNEHDYIHT-UHFFFAOYSA-N

Canonic Smiles

BrCCS(F)(F)(F)(F)F

Isomeric Smiles

S(F)(F)(CCBr)(F)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.0752

LogD (pH = 7.4)

3.0752

Log P

3.0752

Molar Refractivity

31.0382

Polarizability

11.84132

Polar Surface Area

0.0

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

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Molecule Details

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References

Bioactivity