Molecule

ID:97068

General Information

Structure

Molecular Formula

C₃H₃Cl₄F

Molecular Mass

199.8663232

Exact Mass

197.89728904

Charge

0

InChI

InChI=1S/C3H3Cl4F/c4-2(5)1-3(6,7)8/h2H,1H2

InChIKey

IAHLQJBJZKIZIQ-UHFFFAOYSA-N

Canonic Smiles

ClC(CC(Cl)(Cl)F)Cl

Isomeric Smiles

ClC(Cl)(F)CC(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.7006192

LogD (pH = 7.4)

2.7006192

Log P

2.7006192

Molar Refractivity

35.9379

Polarizability

13.849961

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

No Data Available

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Molecule Details

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References

Bioactivity