Molecule

ID:52873

General Information

Structure

Molecular Formula

C₃H₅BrO₂S

Molecular Mass

185.0396

Exact Mass

183.9193624

Charge

0

InChI

InChI=1S/C3H5BrO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2

InChIKey

XSEKMFLQQOEVTJ-UHFFFAOYSA-N

Canonic Smiles

BrC1CS(=O)(=O)C1

Isomeric Smiles

S1(=O)(=O)CC(C1)Br

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.25836608

LogD (pH = 7.4)

-0.25836608

Log P

-0.25836608

Molar Refractivity

29.5678

Polarizability

12.789854

Polar Surface Area

34.14

Rotatable Bonds

0

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