Molecule

ID:77269

General Information

Structure

MolImage

Molecular Formula

C₄H₃ClO₃S

Molecular Mass

166.58282

Exact Mass

165.94914264

Charge

0

InChI

InChI=1S/C4H3ClO3S/c5-9(6,7)4-2-1-3-8-4/h1-3H

InChIKey

IEKOSPNJXYCZHY-UHFFFAOYSA-N

Canonic Smiles

ClS(=O)(=O)c1ccco1

Isomeric Smiles

o1cccc1S(=O)(=O)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.1490854

LogD (pH = 7.4)

1.1490854

Log P

1.1490854

Molar Refractivity

32.0189

Polarizability

13.462645

Polar Surface Area

47.28

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