Molecule

ID:44607

General Information

Structure

MolImage

Molecular Formula

C₇H₅Cl₂NO₂

Molecular Mass

206.0261

Exact Mass

204.96973377

Charge

0

InChI

InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3

InChIKey

OJTXNNHRMCEWAM-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1cc(Cl)ncc1Cl

Isomeric Smiles

c1(C(=O)OC)c(cnc(c1)Cl)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.187317

LogD (pH = 7.4)

2.187317

Log P

2.187317

Molar Refractivity

46.5973

Polarizability

17.846888

Polar Surface Area

39.19

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity