Molecule

ID:73332

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂S
Molecular Mass
204.67386
Exact Mass
204.00117821
Charge
0
InChI
InChI=1S/C8H9ClO2S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h3-6H,2H2,1H3
InChIKey
LIZNEYWXYFVEBF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(cccc1)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.877539
LogD (pH = 7.4)
2.877539
Log P
2.877539
Molar Refractivity
49.8944
Polarizability
19.986391
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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