Molecule

ID:73675

General Information

Structure

Molecular Formula

C₁₀H₁₆BrN

Molecular Mass

230.14474

Exact Mass

229.04661152

Charge

0

InChI

InChI=1S/C10H16BrN/c1-10(11)8-6-4-2-3-5-7-9-12/h1-8H2

InChIKey

OWVKLLABQABUHF-UHFFFAOYSA-N

Canonic Smiles

N#CCCCCCCCC(=C)Br

Isomeric Smiles

N#CCCCCCCCC(=C)Br

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5886953

LogD (pH = 7.4)

3.5886953

Log P

3.5886953

Molar Refractivity

56.1892

Polarizability

21.407701

Polar Surface Area

23.79

Rotatable Bonds

7

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