Molecule

ID:40763

General Information

Structure

MolImage

Molecular Formula

C₈H₅ClN₂S

Molecular Mass

196.6567

Exact Mass

195.98619685

Charge

0

InChI

InChI=1S/C8H5ClN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H

InChIKey

SQCPDDVZJOHPAZ-UHFFFAOYSA-N

Canonic Smiles

Clc1snnc1c1ccccc1

Isomeric Smiles

c1(c(snn1)Cl)c1ccccc1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.3650994

LogD (pH = 7.4)

3.3650997

Log P

3.3650997

Molar Refractivity

49.0849

Polarizability

20.165743

Polar Surface Area

25.78

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