Molecule

ID:76179

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₃S
Molecular Mass
282.74264
Exact Mass
282.01174289
Charge
0
InChI
InChI=1S/C13H11ClO3S/c1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16/h2-9H,1H3
InChIKey
AJWXJCPSCXFPJJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)c1ccc(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.409103
LogD (pH = 7.4)
3.409103
Log P
3.409103
Molar Refractivity
71.8516
Polarizability
29.797106
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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