Molecule

ID:32317

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂BrNO₂

Molecular Mass

210.06898

Exact Mass

209.00514063

Charge

0

InChI

InChI=1S/C6H12BrNO2/c1-10-4-2-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)

InChIKey

MJJREPZOZWBYFR-UHFFFAOYSA-N

Canonic Smiles

COCCCNC(=O)CBr

Isomeric Smiles

C(=O)(NCCCOC)CBr

Calculated Properties

JChem

Acid pKa

13.209206

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.070788965

LogD (pH = 7.4)

-0.07078955

Log P

-0.07078896

Molar Refractivity

43.0082

Polarizability

16.598438

Polar Surface Area

38.33

Rotatable Bonds

5

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