Molecule

ID:53964

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO₂S
Molecular Mass
226.0804
Exact Mass
224.94180477
Charge
0
InChI
InChI=1S/C6H5Cl2NO2S/c1-4-2-3-9-6(7)5(4)12(8,10)11/h2-3H,1H3
InChIKey
OXCJAYGONSGGQJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(c1S(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1c(nccc1C)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0395195
LogD (pH = 7.4)
2.0395195
Log P
2.0395195
Molar Refractivity
49.0026
Polarizability
19.369377
Polar Surface Area
47.03
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
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