Molecule

ID:84035

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂S
Molecular Mass
184.646
Exact Mass
183.98619685
Charge
0
InChI
InChI=1S/C7H5ClN2S/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,1H3
InChIKey
SCSWOYWPHUQGKL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nsnc2cc1C
Isomeric Smiles
s1nc2c(n1)cc(c(c2)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2343407
LogD (pH = 7.4)
3.234341
Log P
3.234341
Molar Refractivity
46.3864
Polarizability
18.430775
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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