Molecule

ID:63937

General Information

Structure

MolImage

Molecular Formula

C₅H₈ClIO

Molecular Mass

246.47389

Exact Mass

245.93084056

Charge

0

InChI

InChI=1S/C5H8ClIO/c6-1-5(2-7)3-8-4-5/h1-4H2

InChIKey

AAHVBCSCIJYASL-UHFFFAOYSA-N

Canonic Smiles

ClCC1(CI)COC1

Isomeric Smiles

C1(CI)(CCl)COC1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.7480738

LogD (pH = 7.4)

1.7480738

Log P

1.7480738

Molar Refractivity

42.5518

Polarizability

17.032354

Polar Surface Area

9.23

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