Molecule

ID:86895

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₂S
Molecular Mass
240.70596
Exact Mass
240.00117821
Charge
0
InChI
InChI=1S/C11H9ClO2S/c1-8-6-7-11(15(12,13)14)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKey
WLEBLSWMOQCGTE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c2c1cccc2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(c2ccccc12)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.422447
LogD (pH = 7.4)
3.422447
Log P
3.422447
Molar Refractivity
61.7436
Polarizability
25.609001
Polar Surface Area
34.14
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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