Molecule

ID:113808

General Information

Structure

Molecular Formula

C₇H₂Cl₃NS

Molecular Mass

238.52148

Exact Mass

236.89735311

Charge

0

InChI

InChI=1S/C7H2Cl3NS/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H

InChIKey

NRSPQUJKJPNTOY-UHFFFAOYSA-N

Canonic Smiles

Clc1nc2c(s1)ccc(c2Cl)Cl

Isomeric Smiles

c12nc(sc2ccc(c1Cl)Cl)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.235575

LogD (pH = 7.4)

4.2355757

Log P

4.2355757

Molar Refractivity

51.7642

Polarizability

21.485779

Polar Surface Area

12.89

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

No Data Available

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Molecule Details

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References

Bioactivity