Molecule

ID:97604

General Information

Structure

Molecular Formula

C₇H₁₃Cl₂F

Molecular Mass

187.0825232

Exact Mass

186.037834

Charge

0

InChI

InChI=1S/C7H13Cl2F/c1-2-3-4-5-6-7(8,9)10/h2-6H2,1H3

InChIKey

NWXOCTRNGMJBBD-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(Cl)(Cl)F

Isomeric Smiles

FC(CCCCCC)(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.179241

LogD (pH = 7.4)

4.179241

Log P

4.179241

Molar Refractivity

44.4621

Polarizability

17.100922

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