Molecule

ID:76249

General Information
Structure
Molecular Formula
C₁₃H₁₁ClO₂S
Molecular Mass
266.74324
Exact Mass
266.01682827
Charge
0
InChI
InChI=1S/C13H11ClO2S/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)17(14,15)16/h2-9H,1H3
InChIKey
RONQPPYFBKIXIJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccccc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccccc1c1ccc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0801954
LogD (pH = 7.4)
4.0801954
Log P
4.0801954
Molar Refractivity
70.4296
Polarizability
29.05181
Polar Surface Area
34.14
Rotatable Bonds
2
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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