Molecule

ID:66013

General Information

Structure

MolImage

Molecular Formula

C₆H₄BrF₂N

Molecular Mass

208.0034664

Exact Mass

206.94951757

Charge

0

InChI

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

InChIKey

ZTBGDNNRDRISQZ-UHFFFAOYSA-N

Canonic Smiles

Brc1cccc(n1)C(F)F

Isomeric Smiles

c1(cccc(n1)C(F)F)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.275892

LogD (pH = 7.4)

2.2758923

Log P

2.2758923

Molar Refractivity

37.0964

Polarizability

13.979316

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