Molecule

ID:66649

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₂S
Molecular Mass
302.17636
Exact Mass
300.97310489
Charge
0
InChI
InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChIKey
XJSLIJXHNXGMOL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1ccc(cc1Cl)Cl
Isomeric Smiles
s1c(nc(c1)C(=O)OCC)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4110327
LogD (pH = 7.4)
4.4110336
Log P
4.4110336
Molar Refractivity
82.3795
Polarizability
28.50233
Polar Surface Area
39.19
Rotatable Bonds
4
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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