Molecule

ID:66078

General Information

Structure

Molecular Formula

C₇H₂Cl₃F₃

Molecular Mass

249.4449896

Exact Mass

247.91741776

Charge

0

InChI

InChI=1S/C7H2Cl3F3/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H

InChIKey

LNDDENGASVDXCV-UHFFFAOYSA-N

Canonic Smiles

FC(c1c(Cl)cc(cc1Cl)Cl)(F)F

Isomeric Smiles

C(c1c(cc(cc1Cl)Cl)Cl)(F)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.6632285

LogD (pH = 7.4)

4.6632285

Log P

4.6632285

Molar Refractivity

46.4461

Polarizability

17.53352

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