Molecule

ID:74287

General Information

Structure

MolImage

Molecular Formula

C₈H₄Br₂O

Molecular Mass

275.92476

Exact Mass

273.86288875

Charge

0

InChI

InChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H

InChIKey

FWNOZAIGDLGBGI-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc2c(c1)c(Br)co2

Isomeric Smiles

o1cc(c2cc(ccc12)Br)Br

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6698744

LogD (pH = 7.4)

3.6698744

Log P

3.6698744

Molar Refractivity

50.1447

Polarizability

20.441614

Polar Surface Area

13.14

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

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Molecule Details

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References

Bioactivity