Molecule

ID:90287

General Information

Structure

MolImage

Molecular Formula

C₇H₃Cl₃O

Molecular Mass

209.45712

Exact Mass

207.92494776

Charge

0

InChI

InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H

InChIKey

RSINFFVFOTUDEC-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)C(=O)Cl)Cl

Isomeric Smiles

Clc1cc(c(cc1)Cl)C(=O)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.3722477

LogD (pH = 7.4)

3.3722477

Log P

3.3722477

Molar Refractivity

46.7823

Polarizability

17.969673

Polar Surface Area

17.07

Rotatable Bonds

1

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