Molecule

ID:56664

General Information

Structure

MolImage

Molecular Formula

C₈H₆Cl₂O₂

Molecular Mass

205.03804

Exact Mass

203.97448479

Charge

0

InChI

InChI=1S/C8H6Cl2O2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2

InChIKey

IKODIMKOCSGKHQ-UHFFFAOYSA-N

Canonic Smiles

ClC(=O)COc1ccccc1Cl

Isomeric Smiles

C(=O)(COc1c(Cl)cccc1)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.4309323

LogD (pH = 7.4)

2.4309323

Log P

2.4309323

Molar Refractivity

47.2691

Polarizability

18.600634

Polar Surface Area

26.3

Rotatable Bonds

3

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