Molecule

ID:79384

General Information

Structure

Molecular Formula

C₇H₁₃ClO₂

Molecular Mass

164.62992

Exact Mass

164.06040734

Charge

0

InChI

InChI=1S/C7H13ClO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3

InChIKey

KRZKQEQBZXWCDJ-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)CCCl

Isomeric Smiles

O=C(CCCl)OCCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.020804

LogD (pH = 7.4)

2.020804

Log P

2.020804

Molar Refractivity

40.739

Polarizability

16.25516

Polar Surface Area

26.3

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity