Molecule

ID:58866

General Information

Structure

MolImage

Molecular Formula

C₆H₄BrF₂N

Molecular Mass

208.0034664

Exact Mass

206.94951757

Charge

0

InChI

InChI=1S/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H

InChIKey

KCMMLUVZVBBEFO-UHFFFAOYSA-N

Canonic Smiles

FC(c1ccncc1Br)F

Isomeric Smiles

c1c(c(ccn1)C(F)F)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.9112601

LogD (pH = 7.4)

1.9133868

Log P

1.913414

Molar Refractivity

36.6079

Polarizability

13.93349

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