Molecule

ID:67091

General Information

Structure

MolImage

Molecular Formula

C₇H₄ClNS

Molecular Mass

169.63136

Exact Mass

168.97529781

Charge

0

InChI

InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H

InChIKey

IFEPGHPDQJOYGG-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc2c1ncs2

Isomeric Smiles

s1cnc2c1cccc2Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.717492

LogD (pH = 7.4)

2.7175162

Log P

2.7175164

Molar Refractivity

41.9335

Polarizability

17.509047

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

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Molecule Details

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References

Bioactivity