Molecule

ID:18997

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)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
MJWVCJUSRGLHFO-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)C1CCCCC1
Isomeric Smiles
S(=O)(=O)(C1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9086717
LogD (pH = 7.4)
1.9086717
Log P
1.9086717
Molar Refractivity
41.365
Polarizability
17.198872
Polar Surface Area
34.14
Rotatable Bonds
1
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
References
Bioactivity
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