Molecule

ID:86339

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄BrCl

Molecular Mass

225.55376

Exact Mass

223.99674013

Charge

0

InChI

InChI=1S/C8H14BrCl/c1-8(9)6-4-2-3-5-7-10/h1-7H2

InChIKey

NGZAPRXVKIJVBR-UHFFFAOYSA-N

Canonic Smiles

ClCCCCCCC(=C)Br

Isomeric Smiles

BrC(=C)CCCCCCCl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.879764

LogD (pH = 7.4)

3.879764

Log P

3.879764

Molar Refractivity

51.3222

Polarizability

19.766321

Polar Surface Area

0.0

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