Molecule

ID:107631

General Information

Structure

MolImage

Molecular Formula

C₁₃H₈Cl₂O

Molecular Mass

251.10802

Exact Mass

249.99522024

Charge

0

InChI

InChI=1S/C13H8Cl2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey

GTOIVYIQAXETHQ-UHFFFAOYSA-N

Canonic Smiles

Clc1cc(Cl)cc(c1)C(=O)c1ccccc1

Isomeric Smiles

Clc1cc(cc(Cl)c1)C(=O)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.6406884

LogD (pH = 7.4)

4.6406884

Log P

4.6406884

Molar Refractivity

66.2431

Polarizability

25.71176

Polar Surface Area

17.07

Rotatable Bonds

2

Lipinski's Rule of Five

true

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