Molecule

ID:10663

General Information

Structure

MolImage

Molecular Formula

C₈H₆Br₂O

Molecular Mass

277.94064

Exact Mass

275.87853881

Charge

0

InChI

InChI=1S/C8H6Br2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2

InChIKey

XOYQEZDPRIPCSS-UHFFFAOYSA-N

Canonic Smiles

BrCc1cccc(c1)C(=O)Br

Isomeric Smiles

c1cc(cc(c1)C(=O)Br)CBr

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.0869484

LogD (pH = 7.4)

3.0869484

Log P

3.0869484

Molar Refractivity

52.622

Polarizability

19.789812

Polar Surface Area

17.07

Rotatable Bonds

2

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