Molecule

ID:31775

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂S
Molecular Mass
197.68298
Exact Mass
197.02772731
Charge
0
InChI
InChI=1S/C6H12ClNO2S/c1-6-2-4-8(5-3-6)11(7,9)10/h6H,2-5H2,1H3
InChIKey
IVVNPRFHZBOVAZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(N1CCC(CC1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9337057
LogD (pH = 7.4)
0.9337057
Log P
0.9337057
Molar Refractivity
45.3619
Polarizability
18.364128
Polar Surface Area
37.38
Rotatable Bonds
0
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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