Molecule

ID:67338

General Information

Structure

MolImage

Molecular Formula

C₈H₅ClS

Molecular Mass

168.6433

Exact Mass

167.98004884

Charge

0

InChI

InChI=1S/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H

InChIKey

SNYURIHMNFPQFL-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)ccs2

Isomeric Smiles

c1cc2c(s1)ccc(c2)Cl

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.4533153

LogD (pH = 7.4)

3.4533153

Log P

3.4533153

Molar Refractivity

44.2029

Polarizability

18.354128

Polar Surface Area

0.0

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