Molecule

ID:86310

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄Cl₂

Molecular Mass

181.10276

Exact Mass

180.04725581

Charge

0

InChI

InChI=1S/C8H14Cl2/c1-8(10)6-4-2-3-5-7-9/h1-7H2

InChIKey

USNACSJJNIPRRX-UHFFFAOYSA-N

Canonic Smiles

ClCCCCCCC(=C)Cl

Isomeric Smiles

ClC(=C)CCCCCCCl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.7150562

LogD (pH = 7.4)

3.7150562

Log P

3.7150562

Molar Refractivity

48.5042

Polarizability

18.872057

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