Molecule

ID:76415

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO₂S
Molecular Mass
182.66834
Exact Mass
182.01682827
Charge
0
InChI
InChI=1S/C6H11ClO2S/c7-10(8,9)5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
FKELTSTWLHPFMJ-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CC1CCCC1
Isomeric Smiles
S(=O)(=O)(CC1CCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6269265
LogD (pH = 7.4)
1.6269265
Log P
1.6269265
Molar Refractivity
41.371
Polarizability
17.198662
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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