Molecule

ID:97203

General Information

Structure

Molecular Formula

C₄HClF₃NS

Molecular Mass

187.5706496

Exact Mass

186.94703238

Charge

0

InChI

InChI=1S/C4HClF3NS/c5-2-1(3(6)7)10-4(8)9-2/h3H

InChIKey

WZFWCOBEUARLKV-UHFFFAOYSA-N

Canonic Smiles

Fc1nc(c(s1)C(F)F)Cl

Isomeric Smiles

s1c(nc(c1C(F)F)Cl)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.604213

LogD (pH = 7.4)

2.604213

Log P

2.604213

Molar Refractivity

32.3915

Polarizability

11.784178

Polar Surface Area

12.89

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

No Data Available

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Molecule Details

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References

Bioactivity