Molecule

ID:77825

General Information

Structure

MolImage

Molecular Formula

C₅H₉ClO₂

Molecular Mass

136.57676

Exact Mass

136.02910721

Charge

0

InChI

InChI=1S/C5H9ClO2/c1-2-3-5(7)8-4-6/h2-4H2,1H3

InChIKey

BDPZFQLKFUONAG-UHFFFAOYSA-N

Canonic Smiles

CCCC(=O)OCCl

Isomeric Smiles

O(C(=O)CCC)CCl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.6814098

LogD (pH = 7.4)

1.6814098

Log P

1.6814098

Molar Refractivity

31.2801

Polarizability

12.619555

Polar Surface Area

26.3

Rotatable Bonds

4

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