Molecule

ID:34959

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀ClNO₂

Molecular Mass

151.5914

Exact Mass

151.04000625

Charge

0

InChI

InChI=1S/C5H10ClNO2/c1-9-3-2-7-5(8)4-6/h2-4H2,1H3,(H,7,8)

InChIKey

VPXIGHWTJSUAIH-UHFFFAOYSA-N

Canonic Smiles

COCCNC(=O)CCl

Isomeric Smiles

C(=O)(NCCOC)CCl

Calculated Properties

JChem

Acid pKa

12.904397

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.31624398

LogD (pH = 7.4)

-0.31624517

Log P

-0.31624395

Molar Refractivity

35.1593

Polarizability

13.781551

Polar Surface Area

38.33

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