Molecule

ID:54705

General Information

Structure

Molecular Formula

C₁₂H₇ClO₂

Molecular Mass

218.63578

Exact Mass

218.01345714

Charge

0

InChI

InChI=1S/C12H7ClO2/c13-12-9(6-14)5-8-3-1-2-4-10(8)11(12)7-15/h1-7H

InChIKey

JOYGBOVLNGIRHD-UHFFFAOYSA-N

Canonic Smiles

O=Cc1c(Cl)c(C=O)cc2c1cccc2

Isomeric Smiles

c1(c(c(cc2c1cccc2)C=O)Cl)C=O

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.991772

LogD (pH = 7.4)

2.991772

Log P

2.991772

Molar Refractivity

60.481

Polarizability

23.515577

Polar Surface Area

34.14

Rotatable Bonds

2

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