Molecule

ID:54692

General Information

Structure

MolImage

Molecular Formula

C₆H₄BrF₂N

Molecular Mass

208.0034664

Exact Mass

206.94951757

Charge

0

InChI

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

InChIKey

MDRUEFNPMGSINM-UHFFFAOYSA-N

Canonic Smiles

FC(c1ncccc1Br)F

Isomeric Smiles

c1(c(cccn1)Br)C(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.0703588

LogD (pH = 7.4)

2.07037

Log P

2.0703702

Molar Refractivity

36.2542

Polarizability

13.936052

Polar Surface Area

12.89

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity