Molecule

ID:64463

General Information

Structure

MolImage

Molecular Formula

C₄H₃BrO₂

Molecular Mass

162.96942

Exact Mass

161.93164134

Charge

0

InChI

InChI=1S/C4H3BrO2/c5-3-1-4(6)7-2-3/h1H,2H2

InChIKey

GQSKFTFPHAXZSA-UHFFFAOYSA-N

Canonic Smiles

BrC1=CC(=O)OC1

Isomeric Smiles

C1C(=CC(=O)O1)Br

Calculated Properties

JChem

Acid pKa

6.08835

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.83852834

LogD (pH = 7.4)

-0.38415366

Log P

0.9380866

Molar Refractivity

28.7816

Polarizability

10.95399

Polar Surface Area

26.3

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