Molecule

ID:31842

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₂S
Molecular Mass
204.67386
Exact Mass
204.00117821
Charge
0
InChI
InChI=1S/C8H9ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
LKFNLHZZPHHFEC-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CCc1ccccc1
Isomeric Smiles
S(=O)(=O)(Cl)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9703463
LogD (pH = 7.4)
1.9703463
Log P
1.9703463
Molar Refractivity
49.5946
Polarizability
20.09977
Polar Surface Area
34.14
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
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References
Bioactivity
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