Molecule

ID:70874

General Information

Structure

MolImage

Molecular Formula

C₅H₂Br₂N₂O₂

Molecular Mass

281.88958

Exact Mass

279.84830131

Charge

0

InChI

InChI=1S/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H

InChIKey

BPMGYPAEPOYAMW-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cnc(c(c1)Br)Br

Isomeric Smiles

c1(c(cc(cn1)[N+](=O)[O-])Br)Br

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

2.4385848

LogD (pH = 7.4)

2.4385848

Log P

2.4385848

Molar Refractivity

46.3094

Polarizability

17.683123

Polar Surface Area

56.03

Rotatable Bonds

1

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