Molecule

ID:33501

General Information

Structure

MolImage

Molecular Formula

C₆H₈ClNO₂

Molecular Mass

161.58622

Exact Mass

161.02435618

Charge

0

InChI

InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2

InChIKey

QJZNIHHRDQKAFU-UHFFFAOYSA-N

Canonic Smiles

ClCCN1C(=O)CCC1=O

Isomeric Smiles

N1(C(=O)CCC1=O)CCCl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.10530565

LogD (pH = 7.4)

-0.10530565

Log P

-0.10530565

Molar Refractivity

36.5214

Polarizability

14.296104

Polar Surface Area

37.38

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity