Molecule

ID:73674

General Information

Structure

Molecular Formula

C₉H₁₄BrN

Molecular Mass

216.11816

Exact Mass

215.03096145

Charge

0

InChI

InChI=1S/C9H14BrN/c1-9(10)7-5-3-2-4-6-8-11/h1-7H2

InChIKey

KWSMBIBDQAODHU-UHFFFAOYSA-N

Canonic Smiles

N#CCCCCCCC(=C)Br

Isomeric Smiles

N#CCCCCCCC(=C)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.1441267

LogD (pH = 7.4)

3.1441267

Log P

3.1441267

Molar Refractivity

51.5882

Polarizability

19.58621

Polar Surface Area

23.79

Rotatable Bonds

6

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