Molecule

ID:68306

General Information

Structure

MolImage

Molecular Formula

C₆H₃ClN₂S

Molecular Mass

170.61942

Exact Mass

169.97054679

Charge

0

InChI

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

InChIKey

BFMGCAIJTMHHEG-UHFFFAOYSA-N

Canonic Smiles

Clc1nc2c(s1)ccnc2

Isomeric Smiles

c1c2c(ccn1)sc(n2)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.8098121

LogD (pH = 7.4)

1.8098136

Log P

1.8098136

Molar Refractivity

39.9977

Polarizability

16.723627

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