Molecule

ID:85988

General Information

Structure

MolImage

Molecular Formula

C₆H₄Br₃N

Molecular Mass

329.81466

Exact Mass

326.78938513

Charge

0

InChI

InChI=1S/C6H4Br3N/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3

InChIKey

ZVQAJINJCRPCNA-UHFFFAOYSA-N

Canonic Smiles

Brc1cnc(c(c1C)Br)Br

Isomeric Smiles

n1c(c(c(c(c1)Br)C)Br)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.7807746

LogD (pH = 7.4)

3.7807746

Log P

3.7807746

Molar Refractivity

52.6529

Polarizability

20.39034

Polar Surface Area

12.89

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity