Molecule

ID:109141

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂Cl₂

Molecular Mass

155.06548

Exact Mass

154.03160574

Charge

0

InChI

InChI=1S/C6H12Cl2/c1-5(2,3)6(4,7)8/h1-4H3

InChIKey

QMQRQQASVUFJGS-UHFFFAOYSA-N

Canonic Smiles

CC(C(C)(C)C)(Cl)Cl

Isomeric Smiles

CC(C)(C)C(C)(Cl)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.3750818

LogD (pH = 7.4)

3.3750818

Log P

3.3750818

Molar Refractivity

39.5305

Polarizability

15.457477

Polar Surface Area

0.0

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity