Molecule

ID:7944

General Information
Structure
Molecular Formula
C₆H₄ClFO₂S
Molecular Mass
194.6111632
Exact Mass
193.96045627
Charge
0
InChI
InChI=1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H
InChIKey
ZSZKAQCISWFDCQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(F)cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0622509
LogD (pH = 7.4)
2.0622509
Log P
2.0622509
Molar Refractivity
40.4686
Polarizability
16.211208
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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