Molecule

ID:121481

General Information

Structure

MolImage

Molecular Formula

C₃H₃BrN₄O₂

Molecular Mass

206.98552

Exact Mass

205.94393736

Charge

0

InChI

InChI=1S/C3H3BrN4O2/c1-7-2(4)5-3(6-7)8(9)10/h1H3

InChIKey

BILVAFUMOLVWDJ-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1nn(c(n1)Br)C

Isomeric Smiles

c1(nc(n(n1)C)Br)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

1.3974235

LogD (pH = 7.4)

1.3974235

Log P

1.3974235

Molar Refractivity

49.031

Polarizability

13.433204

Polar Surface Area

76.53

Rotatable Bonds

1

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