Molecule

ID:111725

General Information

Structure

MolImage

Molecular Formula

C₁₆H₆Cl₄

Molecular Mass

340.03084

Exact Mass

337.92236091

Charge

0

InChI

InChI=1S/C16H6Cl4/c17-11-3-1-7-13(19)5-10-12(18)4-2-8-14(20)6-9(11)15(7)16(8)10/h1-6H

InChIKey

RICHXUPGHCMGBL-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c3c1cc(Cl)c1c3c(cc2Cl)c(cc1)Cl

Isomeric Smiles

Clc1ccc2c(Cl)cc3c4c(ccc3Cl)c(Cl)cc1c24

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

6.700106

LogD (pH = 7.4)

6.700106

Log P

6.700106

Molar Refractivity

85.941795

Polarizability

36.90785

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity