Molecule

ID:33502

General Information

Structure

MolImage

Molecular Formula

C₇H₁₀ClNO₂

Molecular Mass

175.6128

Exact Mass

175.04000625

Charge

0

InChI

InChI=1S/C7H10ClNO2/c8-4-1-5-9-6(10)2-3-7(9)11/h1-5H2

InChIKey

SNZXFHKNBQFGQU-UHFFFAOYSA-N

Canonic Smiles

ClCCCN1C(=O)CCC1=O

Isomeric Smiles

N1(C(=O)CCC1=O)CCCCl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.045345914

LogD (pH = 7.4)

-0.045345914

Log P

-0.045345914

Molar Refractivity

41.3868

Polarizability

16.109055

Polar Surface Area

37.38

Rotatable Bonds

3

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