Molecule

ID:66014

General Information

Structure

MolImage

Molecular Formula

C₆H₄ClF₂N

Molecular Mass

163.5524664

Exact Mass

163.00003325

Charge

0

InChI

InChI=1S/C6H4ClF2N/c7-5-4(6(8)9)2-1-3-10-5/h1-3,6H

InChIKey

JRPYBEZWPIZUBP-UHFFFAOYSA-N

Canonic Smiles

FC(c1cccnc1Cl)F

Isomeric Smiles

c1(c(cccn1)C(F)F)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.9688779

LogD (pH = 7.4)

1.9688832

Log P

1.9688833

Molar Refractivity

34.8512

Polarizability

12.842639

Polar Surface Area

12.89

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