Molecule

ID:91460

General Information

Structure

MolImage

Molecular Formula

C₅H₃BrN₄

Molecular Mass

199.00812

Exact Mass

197.95410812

Charge

0

InChI

InChI=1S/C5H3BrN4/c6-4-1-2-5-7-8-9-10(5)3-4/h1-3H

InChIKey

BZQNWLUCQRIYFF-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2n(c1)nnn2

Isomeric Smiles

n12c(nnn1)ccc(c2)Br

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.5716851

LogD (pH = 7.4)

1.5716852

Log P

1.5716852

Molar Refractivity

51.7736

Polarizability

14.58097

Polar Surface Area

43.08

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

No Data Available

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Molecule Details

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References

Bioactivity