Molecule

ID:80330

General Information

Structure

MolImage

Molecular Formula

C₅Cl₅NO

Molecular Mass

267.3246

Exact Mass

264.84225203

Charge

0

InChI

InChI=1S/C5Cl5NO/c6-1-2(7)4(9)11(12)5(10)3(1)8

InChIKey

BBMHWFCIWRBYFW-UHFFFAOYSA-N

Canonic Smiles

[O-][n+]1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl

Isomeric Smiles

[n+]1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-]

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.9808352

LogD (pH = 7.4)

2.9808352

Log P

2.9808352

Molar Refractivity

51.5538

Polarizability

20.055029

Polar Surface Area

25.46

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity