Molecule

ID:99488

General Information

Structure

MolImage

Molecular Formula

C₈H₅ClFN

Molecular Mass

169.5834032

Exact Mass

169.00945507

Charge

0

InChI

InChI=1S/C8H5ClFN/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H

InChIKey

AJTCKIAIYHDWLF-UHFFFAOYSA-N

Canonic Smiles

N#CC(c1ccccc1)(Cl)F

Isomeric Smiles

N#CC(c1ccccc1)(Cl)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.8703785

LogD (pH = 7.4)

2.8703785

Log P

2.8703785

Molar Refractivity

41.3822

Polarizability

15.437572

Polar Surface Area

23.79

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