Molecule

ID:107275

General Information

Structure

MolImage

Molecular Formula

C₇H₃Cl₂NS

Molecular Mass

204.07642

Exact Mass

202.93632546

Charge

0

InChI

InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

InChIKey

OSBIEFWIIINTNJ-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1ccc(c(c1)Cl)Cl

Isomeric Smiles

Clc1ccc(cc1Cl)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.2031593

LogD (pH = 7.4)

4.2031603

Log P

4.2031603

Molar Refractivity

52.7305

Polarizability

19.801182

Polar Surface Area

12.36

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity