Molecule

ID:66962

General Information

Structure

MolImage

Molecular Formula

C₉H₅Br₂N

Molecular Mass

286.9507

Exact Mass

284.87887317

Charge

0

InChI

InChI=1S/C9H5Br2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H

InChIKey

KXAHDPKQOFASEB-UHFFFAOYSA-N

Canonic Smiles

Brc1ncc(c2c1cccc2)Br

Isomeric Smiles

c1(ncc(c2ccccc12)Br)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.4880755

LogD (pH = 7.4)

3.4880774

Log P

3.4880774

Molar Refractivity

56.4391

Polarizability

22.594728

Polar Surface Area

12.89

Rotatable Bonds

0

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