Molecule

ID:79675

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂Cl₂

Molecular Mass

155.06548

Exact Mass

154.03160574

Charge

0

InChI

InChI=1S/C6H12Cl2/c1-6(2,8)4-3-5-7/h3-5H2,1-2H3

InChIKey

QMQDOJKBGXQCRR-UHFFFAOYSA-N

Canonic Smiles

ClCCCC(Cl)(C)C

Isomeric Smiles

ClC(CCCCl)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.7749786

LogD (pH = 7.4)

2.7749786

Log P

2.7749786

Molar Refractivity

39.2226

Polarizability

15.445593

Polar Surface Area

0.0

Rotatable Bonds

3

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