Molecule

ID:86320

General Information

Structure

MolImage

Molecular Formula

C₉H₁₆Cl₂

Molecular Mass

195.12934

Exact Mass

194.06290587

Charge

0

InChI

InChI=1S/C9H16Cl2/c1-9(11)7-5-3-2-4-6-8-10/h1-8H2

InChIKey

YOSLDMVBPIVEPQ-UHFFFAOYSA-N

Canonic Smiles

ClCCCCCCCC(=C)Cl

Isomeric Smiles

ClC(=C)CCCCCCCCl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.1596246

LogD (pH = 7.4)

4.1596246

Log P

4.1596246

Molar Refractivity

53.1052

Polarizability

20.708921

Polar Surface Area

0.0

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