Molecule

ID:67007

General Information

Structure

MolImage

Molecular Formula

C₉H₅Br₂N

Molecular Mass

286.9507

Exact Mass

284.87887317

Charge

0

InChI

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

InChIKey

JXDSEHLVLUASEI-UHFFFAOYSA-N

Canonic Smiles

Brc1cc2ccccc2c(n1)Br

Isomeric Smiles

c1(nc(cc2ccccc12)Br)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.6935995

LogD (pH = 7.4)

3.6935995

Log P

3.6935995

Molar Refractivity

57.2813

Polarizability

22.640226

Polar Surface Area

12.89

Rotatable Bonds

0

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