Molecule

ID:58052

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄ClNO

Molecular Mass

163.64516

Exact Mass

163.07639175

Charge

0

InChI

InChI=1S/C7H14ClNO/c1-2-3-4-5-9-7(10)6-8/h2-6H2,1H3,(H,9,10)

InChIKey

IKXRITWWKPLPOD-UHFFFAOYSA-N

Canonic Smiles

CCCCCNC(=O)CCl

Isomeric Smiles

C(=O)(NCCCCC)CCl

Calculated Properties

JChem

Acid pKa

13.497409

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.4991993

LogD (pH = 7.4)

1.4991989

Log P

1.4991993

Molar Refractivity

42.5904

Polarizability

16.679893

Polar Surface Area

29.1

Rotatable Bonds

5

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