Molecule

ID:68307

General Information

Structure

MolImage

Molecular Formula

C₆H₃ClN₂S

Molecular Mass

170.61942

Exact Mass

169.97054679

Charge

0

InChI

InChI=1S/C6H3ClN2S/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H

InChIKey

RSDZXVRUWGEPQG-UHFFFAOYSA-N

Canonic Smiles

Clc1nc2c(s1)cccn2

Isomeric Smiles

c12c(cccn1)sc(n2)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.134818

LogD (pH = 7.4)

2.1348183

Log P

2.1348183

Molar Refractivity

41.5705

Polarizability

16.082674

Polar Surface Area

25.78

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