Molecule

ID:100939

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClFO₃S
Molecular Mass
286.7065232
Exact Mass
285.98667102
Charge
0
InChI
InChI=1S/C12H8ClFO3S/c13-18(15,16)12-7-5-11(6-8-12)17-10-3-1-9(14)2-4-10/h1-8H
InChIKey
PDAYRCHIAPCRRD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
O(c1ccc(cc1)S(=O)(=O)Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.562538
LogD (pH = 7.4)
3.562538
Log P
3.562538
Molar Refractivity
66.7094
Polarizability
26.434864
Polar Surface Area
43.37
Rotatable Bonds
3
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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