Molecule

ID:95110

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClFO₂S₂
Molecular Mass
264.7241432
Exact Mass
263.94817733
Charge
0
InChI
InChI=1S/C9H6ClFO2S2/c1-5-7-4-6(11)2-3-8(7)14-9(5)15(10,12)13/h2-4H,1H3
InChIKey
ZPXXCKVUFYURAU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Cl
Isomeric Smiles
s1c2c(cc(cc2)F)c(c1S(=O)(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.617693
LogD (pH = 7.4)
3.617693
Log P
3.617693
Molar Refractivity
58.0098
Polarizability
24.075409
Polar Surface Area
34.14
Rotatable Bonds
1
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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