Molecule

ID:73697

General Information

Structure

Molecular Formula

C₁₁H₁₉BrO₂

Molecular Mass

263.17136

Exact Mass

262.05684185

Charge

0

InChI

InChI=1S/C11H19BrO2/c1-3-14-11(13)9-7-5-4-6-8-10(2)12/h2-9H2,1H3

InChIKey

GJTDGTQYGDMQLA-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)CCCCCCC(=C)Br

Isomeric Smiles

BrC(=C)CCCCCCC(=O)OCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5888798

LogD (pH = 7.4)

3.5888798

Log P

3.5888798

Molar Refractivity

62.1266

Polarizability

24.21977

Polar Surface Area

26.3

Rotatable Bonds

9

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity