Molecule

ID:80335

General Information

Structure

MolImage

Molecular Formula

C₅Br₅N

Molecular Mass

473.5802

Exact Mass

468.59475901

Charge

0

InChI

InChI=1S/C5Br5N/c6-1-2(7)4(9)11-5(10)3(1)8

InChIKey

ZWZXZEDDXXGEPS-UHFFFAOYSA-N

Canonic Smiles

Brc1nc(Br)c(c(c1Br)Br)Br

Isomeric Smiles

n1c(c(c(c(c1Br)Br)Br)Br)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

5.0103807

LogD (pH = 7.4)

5.0103807

Log P

5.0103807

Molar Refractivity

63.6995

Polarizability

25.325138

Polar Surface Area

12.89

Rotatable Bonds

0

Lipinski's Rule of Five

false

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