Molecule

ID:76416

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClO₂S
Molecular Mass
196.69492
Exact Mass
196.03247834
Charge
0
InChI
InChI=1S/C7H13ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
BNZZPMGQCWZOPS-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)CC1CCCCC1
Isomeric Smiles
S(=O)(=O)(CC1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0714953
LogD (pH = 7.4)
2.0714953
Log P
2.0714953
Molar Refractivity
45.972
Polarizability
19.021513
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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