Molecule

ID:34744

General Information

Structure

Molecular Formula

C₇H₁₄ClNO

Molecular Mass

163.64516

Exact Mass

163.07639175

Charge

0

InChI

InChI=1S/C7H14ClNO/c1-3-4-5-9(2)7(10)6-8/h3-6H2,1-2H3

InChIKey

FMDCVGFKCSILHT-UHFFFAOYSA-N

Canonic Smiles

CCCCN(C(=O)CCl)C

Isomeric Smiles

C(=O)(N(CCCC)C)CCl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.2783066

LogD (pH = 7.4)

1.2783066

Log P

1.2783066

Molar Refractivity

42.8861

Polarizability

16.679897

Polar Surface Area

20.31

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity