Molecule

ID:7860

General Information

Structure

MolImage

Molecular Formula

C₇H₂Cl₃NS

Molecular Mass

238.52148

Exact Mass

236.89735311

Charge

0

InChI

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

InChIKey

DSXVZIOQROMOEF-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1c(Cl)cc(cc1Cl)Cl

Isomeric Smiles

c1c(cc(c(c1Cl)N=C=S)Cl)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.807205

LogD (pH = 7.4)

4.807205

Log P

4.807205

Molar Refractivity

57.5353

Polarizability

21.744534

Polar Surface Area

12.36

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