Molecule

ID:52376

General Information

Structure

MolImage

Molecular Formula

C₆H₉Cl₂NS

Molecular Mass

198.11336

Exact Mass

196.98327565

Charge

0

InChI

InChI=1S/C6H9Cl2NS/c7-3-1-2-6(8)4-9-5-10/h6H,1-4H2

InChIKey

RLOWUJXVPSIYHE-UHFFFAOYSA-N

Canonic Smiles

ClCCCC(CN=C=S)Cl

Isomeric Smiles

C(C(CCCCl)Cl)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.0357192

LogD (pH = 7.4)

3.0357192

Log P

3.0357192

Molar Refractivity

49.1959

Polarizability

19.326218

Polar Surface Area

12.36

Rotatable Bonds

5

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