Molecule

ID:57480

General Information

Structure

MolImage

Molecular Formula

C₃H₇ClO₂S

Molecular Mass

142.60448

Exact Mass

141.98552814

Charge

0

InChI

InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3

InChIKey

DKWNYTKOLIZNAX-UHFFFAOYSA-N

Canonic Smiles

ClCCS(=O)(=O)C

Isomeric Smiles

S(=O)(=O)(CCCl)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.4842927

LogD (pH = 7.4)

-0.4842927

Log P

-0.4842927

Molar Refractivity

29.3797

Polarizability

12.394826

Polar Surface Area

34.14

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