Molecule

ID:77549

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClO₂S
Molecular Mass
156.63106
Exact Mass
156.00117821
Charge
0
InChI
InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKey
WEDIIKBPDQQQJU-UHFFFAOYSA-N
Canonic Smiles
CCCCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.281111
LogD (pH = 7.4)
1.281111
Log P
1.281111
Molar Refractivity
34.1006
Polarizability
14.265035
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
References
Bioactivity
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